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Compound Detail

CHEMBL1765954

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C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC(CCCCCCCC)=C2c1ccccc1

Basic Information

ChEMBL ID CHEMBL1765954
Phase Preclinical
Structure Type MOL
InChI Key FFVLKCOQMYMTJW-DGPALRBDSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

398.6
MW (Da)
9.09
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38
MW 398.63
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.72

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 5.8 5.8 1584.9 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