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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1554
CHEMBL1554
Compound Name DACTINOMYCIN
ChEMBL Synonyms GNF-Pf-2290 | GNF-Pf-1977 | ACTINOMYCIN D | COSMEGEN | DACTINOMYCIN | COSMEGEN LYOVAC
Max Phase 4 (Approved)
Trade Names COSMEGEN LYOVAC | DACTINOMYCIN | COSMEGEN
Molecular Formula C62H86N12O16

Additional synonyms for CHEMBL1554 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C( ...
Download SMILES
Standard InChI InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57( ...
Download InChI
Standard InChI Key RJURFGZVJUQBHK-IIXSONLDSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Novartis Malaria Screening
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1554

Molecule Features

CHEMBL1554 compound icon
Drug Type:Oligopeptide Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA inhibitor DNA FDA PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
GliomaD005910EFO:0000326central nervous system cancer2ClinicalTrials
Carcinoma, Renal CellD002292EFO:0002890renal carcinoma3ClinicalTrials
Gestational Trophoblastic DiseaseD031901Orphanet:59305Gestational trophoblastic neoplasm3ClinicalTrials
HistiocytomaD051642EFO:0005561histiocytoma3ClinicalTrials
Sarcoma, EwingD012512EFO:0000174Ewing sarcoma3ClinicalTrials
MelanomaD008545EFO:0000756melanoma2ClinicalTrials
Choroid Plexus NeoplasmsD016545EFO:0007206choroid plexus cancer3ClinicalTrials
Rhabdomyosarcoma, EmbryonalD018233EFO:0000437embryonal rhabdomyosarcoma3ClinicalTrials
Wilms TumorD009396Orphanet:654Nephroblastoma3ClinicalTrials
SarcomaD012509EFO:0000691sarcoma3ClinicalTrials
RhabdomyosarcomaD012208EFO:0002918rhabdomyosarcoma3ClinicalTrials
LeukemiaD007938EFO:0000565leukemia3ClinicalTrials
LymphomaD008223EFO:0000574lymphoma3ClinicalTrials
Rhabdomyosarcoma, AlveolarD018232EFO:0000248alveolar rhabdomyosarcoma3ClinicalTrials

Clinical Data

ClinicalTrials.gov DACTINOMYCIN
The Cochrane Collaboration DACTINOMYCIN

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
1255.4 1254.6285 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


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

Structural Alerts

There are no structural alerts for CHEMBL1554

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01D - CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
L01DA - Actinomycines
L01DA01 - dactinomycin

ChemSpider ChemSpider:RJURFGZVJUQBHK-IIXSONLDSA-N
DailyMed dactinomycin
PubChem SID: 144205550 SID: 144209680 SID: 170464668 SID: 17390061 SID: 26755269 SID: 26755270
Wikipedia Actinomycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1554



ACToR 50-76-0
Atlas Actinomycin D
BindingDB 43866 50089528
Brenda 207529 207528 127576
ChEBI 27666
DrugBank DB00970
DrugCentral 774
eMolecules 474922
EPA CompTox Dashboard DTXSID9020031
FDA SRS 1CC1JFE158
Human Metabolome Database HMDB0015105
LINCS LSM-5783
NIH Clinical Collection SAM001246846
Nikkaji J3.209C
PubChem 457193
PubChem: Thomson Pharma 15015952
SureChEMBL SCHEMBL3844

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