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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL196228
CHEMBL196228
Compound Name EPITESTOSTERONE
ChEMBL Synonyms Epitestosterone
Max Phase 0
Trade Names
Molecular Formula C19H28O2

Additional synonyms for CHEMBL196228 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
Standard InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17( ...
Download InChI
Standard InChI Key MUMGGOZAMZWBJJ-KZYORJDKSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL196228

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
288.4 288.2089 3.47 0 37.29 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.18 3.18 0 21 0.74

Structural Alerts

There are 2 structural alerts for CHEMBL196228. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MUMGGOZAMZWBJJ-KZYORJDKSA-N
PubChem SID: 144204609
Wikipedia Epitestosterone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL196228



ACToR 481-30-1
BindingDB 50410492
ChEBI 42534
DrugBank DB07768
eMolecules 29549804 538110
EPA CompTox Dashboard DTXSID8022329
FDA SRS 48L726977Z
Human Metabolome Database HMDB00628
IBM Patent System 47FD79F891DC0CD7BF7E9D02E9182D9C
LINCS LSM-2564
LipidMaps LMST02020051
MolPort MolPort-003-941-299
Nikkaji J12.325K
PDBe FFA
PubChem 10204
PubChem: Thomson Pharma 14849071
SureChEMBL SCHEMBL334193
ZINC ZINC04538008

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