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Compound Detail

CHEMBL1189698

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CCCCn1c(=O)c2nc(-c3ccc(Cl)c(Cl)c3)n(C)c2c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189698
Phase Preclinical
Structure Type MOL
InChI Key WDKZYDHHLIRZMW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.3
MW (Da)
5.66
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19Cl2N3O
MW 400.31
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.16

Data from ChEMBL 36 via Core Engine