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Compound Detail

CHEMBL1962462

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COc1ccccc1CN1CCCn2c(c3c(=O)n(-c4ccccc4Cl)[nH]c3cc2=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962462
Phase Preclinical
Structure Type MOL
InChI Key YTGBUSQTIGZPPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.9
MW (Da)
3.55
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23ClN4O3
MW 450.93
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine