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Compound Detail

CHEMBL4557494

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Cc1c(Cl)ccc2c(C(=O)O)cc(-c3cccnc3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4557494
Phase Preclinical
Structure Type MOL
InChI Key GJRLWOOMYJFTMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.7
MW (Da)
3.96
ALogP
3
HBA
1
HBD
63.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11ClN2O2
MW 298.73
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.40

Data from ChEMBL 36 via Core Engine