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Compound Detail

CHEMBL3741800

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Nc1c(Cl)cc(C(=O)NC23CC4CC(O)(CC(C2)c2ccccc24)C3)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3741800
Phase Preclinical
Structure Type MOL
InChI Key BBNDTOIDGWCRHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.3
MW (Da)
4.63
ALogP
3
HBA
3
HBD
75.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22Cl2N2O2
MW 417.34
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
26596711 10.1016/j.bmc.2015.11.004 11-beta-hydroxysteroid dehydrogenase 1 2

Data from ChEMBL 36 via Core Engine