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Compound Detail

CHEMBL4594938

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CCOC(=O)CCCOc1ccccc1CCc1nc(N)nc(N)c1-c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594938
Phase Preclinical
Structure Type MOL
InChI Key VOTSGBHEOMVRBQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.0
MW (Da)
4.47
ALogP
7
HBA
2
HBD
113.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27ClN4O3
MW 454.96
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.70

Data from ChEMBL 36 via Core Engine