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Compound Detail

CHEMBL346803

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Cc1nc2c(/C=C/c3c(Cl)cccc3Cl)cccn2c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL346803
Phase Preclinical
Structure Type MOL
InChI Key LRZZDPLQQHVBSO-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.1
MW (Da)
5.88
ALogP
2
HBA
0
HBD
17.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11BrCl2N2
MW 382.09
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.98

Literature References

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

Data from ChEMBL 36 via Core Engine