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Compound Detail

CHEMBL1412060

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COc1ccc(N2CCN(C3=C(Cl)C(=O)N(c4cccc(OC)c4)C3=O)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1412060
Phase Preclinical
Structure Type MOL
InChI Key AARFYULSFOAWTK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.9
MW (Da)
2.85
ALogP
6
HBA
0
HBD
62.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClN3O4
MW 427.89
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.09

Data from ChEMBL 36 via Core Engine