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Compound Detail

CHEMBL1765926

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CCCCCCC1=C(c2ccccc2)[C@]2(OCC)CCC[C@@H]2C1

Basic Information

ChEMBL ID CHEMBL1765926
Phase Preclinical
Structure Type MOL
InChI Key DTLDZNVFJVINHS-IRLDBZIGSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.5
MW (Da)
6.39
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H32O
MW 312.50
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.91

Activity Summary

EC50 2 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Steroidogenic factor 1
CHEMBL4666
EC50 6.3 6.3 501.2 1
Nuclear receptor subfamily 5 group A member 2
CHEMBL3544
EC50 5.6 5.6 2511.9 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