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Compound Detail

CHEMBL4595587

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Nc1nc(N)c(-c2cccc(Cl)c2)c(CCc2ccccc2OCc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595587
Phase Preclinical
Structure Type MOL
InChI Key RVSJIOIUSOJJER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.9
MW (Da)
5.33
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23ClN4O
MW 430.94
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine