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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1908360
CHEMBL1908360
Compound Name EVEROLIMUS
ChEMBL Synonyms AFINITOR DISPERZ | VOTUBIA | RAD001 | EVEROLIMUS | CERTICAN | ZORTRESS | AFINITOR
Max Phase 4 (Approved)
Trade Names AFINITOR | VOTUBIA | CERTICAN | ZORTRESS | AFINITOR DISPERZ
Molecular Formula C53H83NO14

Additional synonyms for CHEMBL1908360 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@ ...
Download SMILES
Standard InChI InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40- ...
Download InChI
Standard InChI Key HKVAMNSJSFKALM-GKUWKFKPSA-N

Sources

  • British National Formulary
  • Gene Expression Atlas Compounds
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1908360

Molecule Features

CHEMBL1908360 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
FK506-binding protein 1A inhibitor FK506-binding protein 1A DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Carcinoma, Squamous CellD002294EFO:0000181head and neck squamous cell carcinoma2ClinicalTrials
Coronary StenosisD023921EFO:1000882coronary stenosis3ClinicalTrials
Gastrointestinal Stromal TumorsD046152Orphanet:44890Gastrointestinal stromal tumor1ClinicalTrials
Nasopharyngeal NeoplasmsD009303EFO:0004252nasopharyngeal neoplasm1ClinicalTrials
Neoplasms, Germ Cell and EmbryonalD009373EFO:0000514germ cell tumor2ClinicalTrials
OligodendrogliomaD009837EFO:0000630oligoastrocytoma2ClinicalTrials
Ovarian NeoplasmsD010051EFO:0001075ovarian carcinoma1ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0003860pancreatic neoplasm2ClinicalTrials
Respiratory Tract InfectionsD0121412ClinicalTrials
Skin NeoplasmsD012878EFO:0004198skin neoplasm3ClinicalTrials
Stomach NeoplasmsD013274EFO:0003897stomach neoplasm3ClinicalTrials
Thyroid NeoplasmsD013964EFO:0002892thyroid carcinoma2ClinicalTrials
Uterine NeoplasmsD014594EFO:0003859uterine neoplasm2ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma2ClinicalTrials
CholangiocarcinomaD018281EFO:0005221cholangiocarcinoma2ClinicalTrials
Colorectal NeoplasmsD015179EFO:1001951colorectal carcinoma2ClinicalTrials
EpilepsyD004827EFO:0000474epilepsy3ClinicalTrials
GliomaD005910EFO:0005543glioma2ClinicalTrials
Macular DegenerationD008268EFO:0001365age-related macular degeneration2ClinicalTrials
MelanomaD008545EFO:0000756melanoma2ClinicalTrials
OsteosarcomaD012516EFO:0000637osteosarcoma2ClinicalTrials
Carcinoma, Renal CellD002292EFO:0002890renal carcinoma4ClinicalTrials
ChondrosarcomaD002813EFO:0000333chondrosarcoma2ClinicalTrials
Endometrial NeoplasmsD016889EFO:0004230endometrial neoplasm2ClinicalTrials
Gallbladder NeoplasmsD005706EFO:0004606gallbladder neoplasm1ClinicalTrials
Lymphoma, T-Cell, CutaneousD016410EFO:0002913Cutaneous T-cell lymphoma2ClinicalTrials
Ovarian NeoplasmsD010051Orphanet:398934Malignant epithelial tumor of ovary1ClinicalTrials
Peutz-Jeghers SyndromeD010580Orphanet:2869Peutz-Jeghers syndrome2ClinicalTrials
Sarcoma, SynovialD013584EFO:0001376synovial sarcoma1ClinicalTrials
Acute Coronary SyndromeD054058EFO:0005672acute coronary syndrome1ClinicalTrials
AdenocarcinomaD000230EFO:0000228adenocarcinoma1ClinicalTrials
AstrocytomaD001254EFO:0000272astrocytoma4ClinicalTrials
DailyMed
Brain NeoplasmsD001932EFO:0003833brain neoplasm2ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma4ClinicalTrials
DailyMed
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma2ClinicalTrials
Colorectal NeoplasmsD015179EFO:0000365colorectal adenocarcinoma2ClinicalTrials
Esophageal NeoplasmsD004938EFO:0002916esophageal carcinoma1ClinicalTrials
GlioblastomaD005909EFO:0000519glioblastoma multiforme2ClinicalTrials
Hodgkin DiseaseD006689EFO:0000183Hodgkins lymphoma2ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL PositiveD015464EFO:0000339chronic myelogenous leukemia1ClinicalTrials
Lymphoma, B-Cell, Marginal ZoneD018442EFO:1000630marginal zone B-cell lymphoma2ClinicalTrials
Lymphoma, Non-HodgkinD008228EFO:0005952non-Hodgkins lymphoma1ClinicalTrials
MelanomaD008545EFO:0000389cutaneous melanoma2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer4ClinicalTrials
Urinary Bladder NeoplasmsD001749EFO:0000292bladder carcinoma2ClinicalTrials
Breast Neoplasms, MaleD018567EFO:0006861male breast carcinoma1ClinicalTrials
CarcinomaD002277EFO:0000313carcinoma3ClinicalTrials
GliomaD005910EFO:0000326central nervous system cancer2ClinicalTrials
Hematologic DiseasesD006402HP:0001871abnormality of blood and blood-forming tissues2ClinicalTrials
Leukemia, LymphoidD007945EFO:0004289lymphoid leukemia1ClinicalTrials
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia2ClinicalTrials
Lymphoma, Large B-Cell, DiffuseD016403EFO:0000403diffuse large B-cell lymphoma3ClinicalTrials
MelanomaD008545EFO:0002617metastatic melanoma2ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm4ATC
ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-LymphomaD054198EFO:0000220acute lymphoblastic leukemia1ClinicalTrials
SarcomaD012509EFO:1001968soft tissue sarcoma2ClinicalTrials
Sarcoma, KaposiD012514EFO:0000558Kaposi's sarcoma2ClinicalTrials
Carcinoma, Renal CellD002292EFO:0000681renal cell carcinoma4ClinicalTrials
DailyMed
Coronary RestenosisD023903EFO:0004224Coronary Restenosis3ClinicalTrials
Fallopian Tube NeoplasmsD005185EFO:1000251Fallopian Tube Carcinoma1ClinicalTrials
Graft vs Host DiseaseD006086EFO:0004599acute graft vs. host disease3ClinicalTrials
Hepatitis CD006526EFO:0003047hepatitis C infection2ClinicalTrials
InfectionD007239EFO:0000544infection3ClinicalTrials
Lung NeoplasmsD008175EFO:0001071lung carcinoma2ClinicalTrials
LymphomaD008223EFO:0000574lymphoma2ClinicalTrials
MeningiomaD008579Orphanet:2495Meningioma2ClinicalTrials
MesotheliomaD008654EFO:0000770malignant pleural mesothelioma2ClinicalTrials
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome2ClinicalTrials
Neuroendocrine TumorsD018358EFO:0005220pulmonary neuroendocrine tumor4ClinicalTrials
Neuroendocrine TumorsD018358EFO:1000045pancreatic neuroendocrine tumor4ClinicalTrials
Neuroendocrine TumorsD0183584DailyMed
Polycystic Kidney, Autosomal DominantD016891EFO:1001496Autosomal dominant polycystic kidney disease3ClinicalTrials
Thymus NeoplasmsD013953EFO:0002626thymus neoplasm2ClinicalTrials
TuberculosisD014376Orphanet:3389Tuberculosis2ClinicalTrials
Tuberous SclerosisD014402Orphanet:805Tuberous sclerosis4ClinicalTrials
DailyMed
Adenoma, Islet CellD007516EFO:0007331islet cell tumor2ClinicalTrials
AstrocytomaD001254EFO:0002499anaplastic astrocytoma4ClinicalTrials
Breast NeoplasmsD001943EFO:0003869breast neoplasm4ClinicalTrials
Carcinoma, Adenoid CysticD003528EFO:0000231adenoid cystic carcinoma2ClinicalTrials
Coronary Artery DiseaseD003324EFO:0000378coronary artery disease3ClinicalTrials
EpendymomaD004806EFO:1000028ependymoma2ClinicalTrials
Head and Neck NeoplasmsD006258EFO:0006859head and neck malignant neoplasia2ClinicalTrials
Kidney DiseasesD007674EFO:0003086kidney disease2ClinicalTrials
LymphangioleiomyomatosisD018192Orphanet:538Lymphangioleiomyomatosis2ClinicalTrials
Lymphoma, Mantle-CellD020522EFO:1001469Mantle cell lymphoma2ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma2ClinicalTrials
Neurofibromatosis 2D016518Orphanet:637Neurofibromatosis type 22ClinicalTrials
OligodendrogliomaD009837EFO:0000632oligodendroglioma2ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0002618pancreatic carcinoma2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma2ClinicalTrials
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease3ClinicalTrials
Urogenital NeoplasmsD014565EFO:0003863urogenital neoplasm2ClinicalTrials
Uterine Cervical NeoplasmsD002583EFO:0001061cervical carcinoma1ClinicalTrials
Waldenstrom MacroglobulinemiaD008258EFO:0002616macroglobulinemia2ClinicalTrials
AngiomyolipomaD0182074DailyMed
Carcinoma, Renal CellD002292EFO:0000349clear cell renal carcinoma4ClinicalTrials
Carcinoma, Transitional CellD002295EFO:1000601Transitional Cell Carcinoma2ClinicalTrials
Colonic NeoplasmsD003110EFO:1001950colon carcinoma1ClinicalTrials
Cytomegalovirus InfectionsD003586EFO:0001062cytomegalovirus infection3ClinicalTrials
FibromaD005350EFO:0002424fibroma2ClinicalTrials
Hamartoma Syndrome, MultipleD006223Orphanet:306498PTEN hamartoma tumor syndrome1ClinicalTrials
Immune System DiseasesD007154EFO:0000540immune system disease4ATC
LeukemiaD007938EFO:0000565leukemia1ClinicalTrials
Malignant Carcinoid SyndromeD008303EFO:1000852carcinoid syndrome3ClinicalTrials
MesotheliomaD008654EFO:0000588mesothelioma2ClinicalTrials
Neurofibromatosis 1D009456Orphanet:636Neurofibromatosis type 12ClinicalTrials
Peritoneal NeoplasmsD010534EFO:1001100peritoneal neoplasm1ClinicalTrials
ProgeriaD011371Orphanet:740Hutchinson-Gilford progeria syndrome1ClinicalTrials
SarcomaD012509EFO:0000691sarcoma2ClinicalTrials
Small Cell Lung CarcinomaD055752EFO:0000702small cell lung carcinoma3ClinicalTrials
Stomach NeoplasmsD013274EFO:0000178gastric carcinoma3ClinicalTrials
UveitisD014605EFO:1001231uveitis2ClinicalTrials

Clinical Data

ClinicalTrials.gov EVEROLIMUS
The Cochrane Collaboration EVEROLIMUS

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
958.2 957.5814 6.2 9 204.66 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 3 3 15 3 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.4 - 4.18 4.18 0 68 0.13

Structural Alerts

There are 5 structural alerts for CHEMBL1908360. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01X - OTHER ANTINEOPLASTIC AGENTS
L01XE - Protein kinase inhibitors
L01XE10 - everolimus

L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L04 - IMMUNOSUPPRESSANTS
L04A - IMMUNOSUPPRESSANTS
L04AA - Selective immunosuppressants
L04AA18 - everolimus

ChemSpider ChemSpider:HKVAMNSJSFKALM-GKUWKFKPSA-N
DailyMed everolimus
PubChem SID: 144206063

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1908360



ACToR 159351-69-6
Atlas RAD001
BindingDB 50088378
ChEBI 68478
ChemicalBook CB9502411
DrugBank DB01590
DrugCentral 1118
eMolecules 30512895 36756561
EPA CompTox Dashboard DTXSID0040599
FDA SRS 9HW64Q8G6G
Guide to Pharmacology 5889
LINCS LSM-43172
MolPort MolPort-003-847-342
PharmGKB PA164746311
PubChem 6442177
PubChem: Drugs of the Future 12014881
PubChem: Thomson Pharma 14865574 14767667
SureChEMBL SCHEMBL4378
ZINC ZINC000169677008

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/HKVAMNSJSFKALM-GKUWKFKPSA-N spacer
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