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Compound Detail

CHEMBL384424

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CCC/C=C(\CCC)C1=C(C2CCCCC2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1

Basic Information

ChEMBL ID CHEMBL384424
Phase Preclinical
Structure Type MOL
InChI Key ZGDHZHVYMROVBP-KTNSFKJWSA-N
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

391.6
MW (Da)
8.44
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.47
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 C28H41N
MW 391.64
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.62

Activity Summary

EC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Steroidogenic factor 1
CHEMBL4666
EC50 8.0 8.0 10.0 1
Nuclear receptor subfamily 5 group A member 2
CHEMBL3544
EC50 7.92 7.92 12.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 12.0 hr -

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17154495 10.1021/jm060990k Nuclear receptor subfamily 5 group A member 2 2
17154495 10.1021/jm060990k Steroidogenic factor 1 2
17154495 10.1021/jm060990k No relevant target 1

Data from ChEMBL 36 via Core Engine