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Compound Detail

CHEMBL1728042

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COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(Cl)ccc4o3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1728042
Phase Preclinical
Structure Type MOL
InChI Key PVIVMKRJGYBQDI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.9
MW (Da)
3.42
ALogP
5
HBA
0
HBD
63.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19ClN2O4
MW 398.85
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.20

Data from ChEMBL 36 via Core Engine