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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1336
CHEMBL1336
Compound Name SORAFENIB
ChEMBL Synonyms SORAFENIB TOSYLATE | SORAFENIB | BAY 54-9085 | NEXAVAR | BAY 43-9006 | Nexavar | [11C]-Sorafenib | BAY-43-9006
Max Phase 4 (Approved)
Trade Names Nexavar | NEXAVAR
Molecular Formula C21H16ClF3N4O3

Additional synonyms for CHEMBL1336 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Standard InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14 ...
Download InChI
Standard InChI Key MLDQJTXFUGDVEO-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • British National Formulary
  • Gene Expression Atlas Compounds
  • Orange Book
  • PubChem BioAssays
  • Sanger Institute Genomics of Drug Sensitivity in Cancer
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1336

Molecule Features

CHEMBL1336 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Platelet-derived growth factor receptor beta inhibitor Platelet-derived growth factor receptor beta FDA
Serine/threonine-protein kinase B-raf inhibitor Serine/threonine-protein kinase B-raf FDA
Serine/threonine-protein kinase RAF inhibitor Serine/threonine-protein kinase RAF FDA
Stem cell growth factor receptor inhibitor Stem cell growth factor receptor FDA
Tyrosine-protein kinase receptor FLT3 inhibitor Tyrosine-protein kinase receptor FLT3 FDA
Tyrosine-protein kinase receptor RET inhibitor Tyrosine-protein kinase receptor RET FDA
Vascular endothelial growth factor receptor inhibitor Vascular endothelial growth factor receptor FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HYPERTENSION, PORTALD006975EFO:0000666PORTAL HYPERTENSION2ClinicalTrials
LEUKEMIA, LYMPHOCYTIC, CHRONIC, B-CELLD015451EFO:0000095CHRONIC LYMPHOCYTIC LEUKEMIA2ClinicalTrials
CARCINOMA, RENAL CELLD002292EFO:0002890RENAL CARCINOMA3ClinicalTrials
MULTIPLE MYELOMAD009101EFO:0001378MULTIPLE MYELOMA2ClinicalTrials
CARCINOMA, NON-SMALL-CELL LUNGD002289EFO:0003060NON-SMALL CELL LUNG CARCINOMA2ClinicalTrials
ClinicalTrials
SARCOMAD012509EFO:0000691SARCOMA2ClinicalTrials
KIDNEY NEOPLASMSD007680EFO:0003865KIDNEY NEOPLASM3ClinicalTrials
URINARY BLADDER NEOPLASMSD001749EFO:0000292BLADDER CARCINOMA2ClinicalTrials
CARCINOMAD002277EFO:0000313CARCINOMA3ClinicalTrials
NEOPLASMSD009369EFO:0000616NEOPLASM4ATC
ClinicalTrials
ClinicalTrials
PROSTATIC NEOPLASMSD011471EFO:0001663PROSTATE CARCINOMA2ClinicalTrials
BREAST NEOPLASMS, MALED018567EFO:0006861MALE BREAST CARCINOMA2ClinicalTrials
CARCINOMA, HEPATOCELLULARD006528EFO:0000182HEPATOCELLULAR CARCINOMA4ClinicalTrials
ClinicalTrials
KELOIDD007627EFO:0004212KELOID2ClinicalTrials
MELANOMAD008545EFO:0000756MELANOMA2ClinicalTrials
ClinicalTrials
SMALL CELL LUNG CARCINOMAD055752EFO:0000702SMALL CELL LUNG CARCINOMA2ClinicalTrials
ClinicalTrials
PROSTATIC NEOPLASMSD011471EFO:0000673PROSTATE ADENOCARCINOMA2ClinicalTrials
CARCINOMA, SQUAMOUS CELLD002294EFO:0000707SQUAMOUS CELL CARCINOMA1ClinicalTrials
GASTROINTESTINAL STROMAL TUMORSD046152Orphanet:44890GASTROINTESTINAL STROMAL TUMOR2ClinicalTrials
ClinicalTrials
LUNG NEOPLASMSD008175EFO:0001071LUNG CARCINOMA2ClinicalTrials
LYMPHOMAD008223EFO:0000574LYMPHOMA1ClinicalTrials
LEUKEMIAD007938EFO:0000565LEUKEMIA1ClinicalTrials
PANCREATIC NEOPLASMSD010190EFO:0002618PANCREATIC CARCINOMA2ClinicalTrials
ClinicalTrials
STOMACH NEOPLASMSD013274EFO:0000178GASTRIC CARCINOMA2ClinicalTrials
TESTICULAR NEOPLASMSD013736EFO:0005088TESTICULAR CARCINOMA2ClinicalTrials
CARCINOMA, RENAL CELLD002292EFO:0000349CLEAR CELL RENAL CARCINOMA3ClinicalTrials
BREAST NEOPLASMSD001943EFO:0000305BREAST CARCINOMA2ClinicalTrials
CARCINOMA, RENAL CELLD002292EFO:0000681RENAL CELL CARCINOMA3ClinicalTrials
HYPERTENSION, PULMONARYD006976EFO:0001361PULMONARY HYPERTENSION1ClinicalTrials
LEUKEMIA, MYELOID, ACUTED015470EFO:0000222ACUTE MYELOID LEUKEMIA2ClinicalTrials
NEOPLASMSD009369EFO:0000311CANCER4ClinicalTrials
OSTEOSARCOMAD012516EFO:0000637OSTEOSARCOMA2ClinicalTrials
OVARIAN NEOPLASMSD010051EFO:0001075OVARIAN CARCINOMA2ClinicalTrials
THYROID NEOPLASMSD013964EFO:0002892THYROID CARCINOMA2ClinicalTrials
ClinicalTrials
MESOTHELIOMAD008654EFO:0000588MESOTHELIOMA2ClinicalTrials

Clinical Data

ClinicalTrials.gov SORAFENIB
The Cochrane Collaboration SORAFENIB

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1336. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 1.000
CHEMBL1075167 Homeodomain-interacting protein kinase 4 Homo sapiens 1.000
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 1.000
CHEMBL2068 Ephrin type-A receptor 2 Homo sapiens 1.000
CHEMBL1955 Vascular endothelial growth factor receptor 3 Homo sapiens 1.000
CHEMBL5145 Serine/threonine-protein kinase B-raf Homo sapiens 1.000
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 1.000
CHEMBL5122 Discoidin domain-containing receptor 2 Homo sapiens 1.000
CHEMBL3886 Mixed lineage kinase 7 Homo sapiens 1.000
CHEMBL4315 Purinergic receptor P2Y1 Homo sapiens 1.000
CHEMBL2409 Epoxide hydratase Homo sapiens 1.000
CHEMBL4223 Tyrosine-protein kinase FRK Homo sapiens 1.000
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 1.000
CHEMBL2250 Tyrosine-protein kinase BLK Homo sapiens 1.000
CHEMBL3905 Tyrosine-protein kinase Lyn Homo sapiens 1.000
CHEMBL5261 Serine/threonine-protein kinase TAO1 Homo sapiens 1.000
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 1.000
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 1.000
CHEMBL4202 Serine/threonine-protein kinase 2 Homo sapiens 0.998



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 1.000
CHEMBL2068 Ephrin type-A receptor 2 Homo sapiens 1.000
CHEMBL4315 Purinergic receptor P2Y1 Homo sapiens 1.000
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 1.000
CHEMBL5145 Serine/threonine-protein kinase B-raf Homo sapiens 1.000
CHEMBL2250 Tyrosine-protein kinase BLK Homo sapiens 1.000
CHEMBL2007 Platelet-derived growth factor receptor alpha Homo sapiens 1.000
CHEMBL5122 Discoidin domain-containing receptor 2 Homo sapiens 1.000
CHEMBL1955 Vascular endothelial growth factor receptor 3 Homo sapiens 1.000
CHEMBL3886 Mixed lineage kinase 7 Homo sapiens 1.000
CHEMBL1075167 Homeodomain-interacting protein kinase 4 Homo sapiens 1.000
CHEMBL2409 Epoxide hydratase Homo sapiens 1.000
CHEMBL4375 Serine/threonine-protein kinase SRPK1 Homo sapiens 1.000
CHEMBL4014 Tyrosine-protein kinase ABL2 Homo sapiens 1.000
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 1.000
CHEMBL5703 Tyrosine-protein kinase Srms Homo sapiens 1.000
CHEMBL4128 Tyrosine-protein kinase TIE-2 Homo sapiens 1.000
CHEMBL4223 Tyrosine-protein kinase FRK Homo sapiens 1.000
CHEMBL5464 Receptor-interacting serine/threonine-protein kinase 1 Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
464.8 464.0863 4.18 6 92.35 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.89 2.66 4.82 4.82 3 32 0.51

Structural Alerts

There are 1 structural alerts for CHEMBL1336. 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
L01XE05 - sorafenib

ChemSpider ChemSpider:MLDQJTXFUGDVEO-UHFFFAOYSA-N
DailyMed sorafenib tosylate
PubChem SID: 103904444 SID: 124893321 SID: 124893323 SID: 50100118 SID: 50112741
Wikipedia Sorafenib

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1336



ACToR 284461-73-0
Atlas BAY-43-9006
BindingDB 16673
Brenda 18796 138692 10040
ChEBI 50924
DrugBank DB00398
DrugCentral 2459
eMolecules 902486
EPA CompTox Dashboard DTXSID7041128
FDA SRS 9ZOQ3TZI87
Guide to Pharmacology 5711
Human Metabolome Database HMDB0014542
IBM Patent System E796216CE34D551B8DEAA715C2166274
LINCS LSM-1008
Mcule MCULE-6112506696
Nikkaji J1.961.269D
PDBe BAX
PharmGKB PA7000
PubChem 216239
PubChem: Drugs of the Future 12015507
PubChem: Thomson Pharma 14834034
SureChEMBL SCHEMBL8218
ZINC ZINC000001493878

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