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Compound Detail

CHEMBL154570

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Cc1nc2c(C(=O)Nc3c(Cl)cccc3Cl)cccn2c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154570
Phase Preclinical
Structure Type MOL
InChI Key GHXXOTKBLXZXDK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.1
MW (Da)
4.96
ALogP
3
HBA
1
HBD
46.4
PSA (Ų)
0.66
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 C15H10BrCl2N3O
MW 399.07
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.71

Literature References

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

Data from ChEMBL 36 via Core Engine