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Compound Detail

CHEMBL1765941

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C=C(CCC)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2c1ccccc1

Basic Information

ChEMBL ID CHEMBL1765941
Phase Preclinical
Structure Type MOL
InChI Key YRRVMTFIZZROJG-NOZRDPDXSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.6
MW (Da)
7.96
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36
MW 336.56
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.04

Activity Summary

EC50 2 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Steroidogenic factor 1
CHEMBL4666
EC50 6.8 6.8 158.5 1
Nuclear receptor subfamily 5 group A member 2
CHEMBL3544
EC50 5.5 5.5 3162.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21391689 10.1021/jm1014296 Steroidogenic factor 1 2
21391689 10.1021/jm1014296 Nuclear receptor subfamily 5 group A member 2 2

Data from ChEMBL 36 via Core Engine