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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278315
CHEMBL278315
Compound Name GELDANAMYCIN
ChEMBL Synonyms Geldanamycin
Max Phase 0
Trade Names
Molecular Formula C29H40N2O9

Additional synonyms for CHEMBL278315 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC) ...
Download SMILES
Standard InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7 ...
Download InChI
Standard InChI Key QTQAWLPCGQOSGP-KSRBKZBZSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL278315

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
560.6 560.2734 2.41 4 163.48 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 1 11 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.42 - 2.62 2.58 0 40 0.35

Structural Alerts

There are 11 structural alerts for CHEMBL278315. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QTQAWLPCGQOSGP-KSRBKZBZSA-N
PubChem SID: 26756833 SID: 26756834
Wikipedia Geldanamycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278315



Atlas geldanamycin
BindingDB 50008059
ChEBI 5292
ChemicalBook CB8462842
DrugBank DB02424
eMolecules 1934769 36500472 30154536
EPA CompTox Dashboard DTXSID7042691
FDA SRS Z3K3VJ16KU
Guide to Pharmacology 9829
KEGG Ligand C11222
LINCS LSM-42789
MolPort MolPort-006-069-196
Nikkaji J21.396I
PDBe GDM
PubChem 5288382
PubChem: Thomson Pharma 14886316 15061987
SureChEMBL SCHEMBL4154
ZINC ZINC000100064834

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