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Compound Detail

CHEMBL4596831

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COc1cc(OC)c(-c2cn3ccc(N4CCCC4)nc3n2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596831
Phase Preclinical
Structure Type MOL
InChI Key YUVOUXNQNWPZGZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.8
MW (Da)
3.67
ALogP
6
HBA
0
HBD
51.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19ClN4O2
MW 358.83
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.49

Data from ChEMBL 36 via Core Engine