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Compound Detail

CHEMBL1962461

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O=c1c2c3n(c(=O)cc2[nH]n1-c1ccccc1Cl)CCN(Cc1ccccc1)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962461
Phase Preclinical
Structure Type MOL
InChI Key COIMBYVEHYQEMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.9
MW (Da)
3.15
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.57
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 C22H19ClN4O2
MW 406.87
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.24

Data from ChEMBL 36 via Core Engine