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Compound Detail

CHEMBL273496

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CN1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]4(O)C#CCCI)C3CCC12

Basic Information

ChEMBL ID CHEMBL273496
Phase Preclinical
Structure Type MOL
InChI Key MVORGJNGNGLACY-VHTWVIGZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.4
MW (Da)
4.41
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34INO2
MW 483.43
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 1.39

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 160.0 nM 6.8 Concentration required for inhibition of 5-alpha-Dihydrotestosterone (DHT) stimu... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00166-Q NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine