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Compound Detail

CHEMBL154158

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CC(=O)N(Cc1c(Cl)cccc1Cl)c1cccn2c(Br)c(C)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154158
Phase Preclinical
Structure Type MOL
InChI Key LIBVBEOGUGRLGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.1
MW (Da)
5.27
ALogP
3
HBA
0
HBD
37.6
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14BrCl2N3O
MW 427.13
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
9484506 10.1021/jm970591c B2 bradykinin receptor 1

Data from ChEMBL 36 via Core Engine