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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL29711
CHEMBL29711
Compound Name APHIDICOLIN
ChEMBL Synonyms Aphidicolin
Max Phase 0
Trade Names
Molecular Formula C20H34O4

Additional synonyms for CHEMBL29711 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]3C[C@@H]4C[C@]23C ...
Download SMILES
Standard InChI InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20 ...
Download InChI
Standard InChI Key NOFOAYPPHIUXJR-APNQCZIXSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL29711

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
338.5 338.2457 1.53 2 80.92 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.82 1.82 0 24 0.62

Structural Alerts

There are no structural alerts for CHEMBL29711

Compound Cross References

ChemSpider ChemSpider:NOFOAYPPHIUXJR-APNQCZIXSA-N
PubChem SID: 26751530 SID: 855848
Wikipedia Aphidicolin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL29711



ACToR 38966-21-1
BindingDB 50090910
Brenda 1025
ChEBI 2766
eMolecules 30488045 478210
EPA CompTox Dashboard DTXSID5036711
FDA SRS 192TJ6PP19
IBM Patent System D8DF27107D0854B420CB24C88C0BCEFB
Mcule MCULE-1655552736
Metabolights MTBLC2766
MolPort MolPort-001-739-525
Nikkaji J19.324K
PDBe 2ZE
PubChem 457964
PubChem: Thomson Pharma 14827081 14827082
SureChEMBL SCHEMBL183956
ZINC ZINC000003789195

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