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Compound Detail

CHEMBL3287173

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O=C(CCCl)N1CCc2cc(-c3cccnc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3287173
Phase Preclinical
Structure Type MOL
InChI Key QJSSVJLNTLVLGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

286.8
MW (Da)
3.27
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClN2O
MW 286.76
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
24899257 10.1021/jm500140c Cytochrome P450 11B2, mitochondrial 2
24899257 10.1021/jm500140c Cytochrome P450 11B1, mitochondrial 2
24899257 10.1021/jm500140c Unchecked 1

Data from ChEMBL 36 via Core Engine