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Compound Detail

CHEMBL359431

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O=C(c1ccc(Br)cc1)N1CCCC(c2ccccc2)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL359431
Phase Preclinical
Structure Type MOL
InChI Key QLIJOARBFPIACM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.2
MW (Da)
4.09
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.81
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 C17H15BrN2O
MW 343.22
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
8523400 10.1021/jm00025a004 Progesterone receptor 1
8523399 10.1021/jm00025a003 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine