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Compound Detail

CHEMBL4526272

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Cc1[nH]c2ccccc2c1CCNC(=O)CCNCc1cc(Cl)c2cccnc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4526272
Phase Preclinical
Structure Type MOL
InChI Key GOABROPOBRHMRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

436.9
MW (Da)
4.22
ALogP
4
HBA
4
HBD
90.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25ClN4O2
MW 436.94
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
31415980 10.1016/j.ejmech.2019.111563 Matrix metalloproteinase-9 2
31415980 10.1016/j.ejmech.2019.111563 72 kDa type IV collagenase 2

Data from ChEMBL 36 via Core Engine