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Compound Detail

CHEMBL1207973

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CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207973
Phase Preclinical
Structure Type MOL
InChI Key RVMVCPKCWWFOEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

381.9
MW (Da)
5.80
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.59
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20ClNO3
MW 381.86
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.61

Data from ChEMBL 36 via Core Engine