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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

Structural Alerts

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

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

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
BindinDB 50410492
ChEBI 42534
DrugBank DB07768
eMolecules 29549804 538110
FDA SRS 48L726977Z
Human Metabolome Database HMDB00628
IBM Patent System 47FD79F891DC0CD7BF7E9D02E9182D9C
IBM Patents EP1845948A2 EP2214646A2 WO2006085075A2 WO2002059375A2 WO2008143956A1 WO1999010003A1 EP2005179A2 US20060019400 US6635672 WO2010065751A2 US20040203007 WO2007110605A2 WO2010135246A1 US20070111973 EP2081557A1 US20030108964 WO2007140380A2 WO2005086652A2 EP2054540A2 EP1605904A2 EP2146632A1 US20030099960 WO2004087083A2 US7470516 US20090104122 WO2002072003A2 US20090117612 WO2008137789A1 US20100009970 US6068830 US5578588 WO2008117117A2 EP1379542A2 US5756071 WO2008007359A2 US20050019916 WO2008130439A1 US6274118 EP2041567A2 US20080161324 WO2010083385A2 WO2006017813A2 US20080317666 WO2006025808A2 EP2157434A1 EP1259637A2 US20060204977 US20080124279 US20100116691 US7745558 US20050192262 WO2007139956A2 US20080014642 US6432939 WO2010138527A1 US20080128606 EP2124885A2 US20100267068 EP2069358A2 US4874696 US20100304426 WO2009046446A2 EP2008099A2 US20090117613 WO1995002424A1 US20080207931 WO2008033466A2 US20010020002 WO2002087552A2 WO2001064937A2 US6451782 US20040138297 US20080152731 US20050191503 WO2010000011A1 US20100221329 WO2008105896A2 WO2008059062A1 US20100256175 US20090035754 US20080194784 US20090230322 WO2010141075A1 WO2010018375A1
LINCS LSM-2564
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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