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Compound Detail

CHEMBL4648990

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Brc1ccc2nc(-c3ccccc3)[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4648990
Phase Preclinical
Structure Type MOL
InChI Key GVFCYTFUNNARML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

273.1
MW (Da)
3.99
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9BrN2
MW 273.13
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
31874775 10.1016/j.bmc.2019.115257 72 kDa type IV collagenase 1
31874775 10.1016/j.bmc.2019.115257 Neutrophil collagenase 1
31874775 10.1016/j.bmc.2019.115257 Matrix metalloproteinase-9 1
31874775 10.1016/j.bmc.2019.115257 Collagenase 3 1

Data from ChEMBL 36 via Core Engine