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Compound Detail

CHEMBL4592572

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Cc1ccc(C)n1-c1cc(CNCc2ccc(C(=O)O)cc2)ccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4592572
Phase Preclinical
Structure Type MOL
InChI Key UKXXETQNROFZNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.78
ALogP
4
HBA
3
HBD
91.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O4
MW 378.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine