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Compound Detail

CHEMBL548737

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COc1ccc(Nc2ncc(Cl)c(Nc3cccnc3C(N)=O)n2)cc1N1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL548737
Phase Preclinical
Structure Type MOL
InChI Key XRVMVMRUPSSQCZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.9
MW (Da)
2.87
ALogP
9
HBA
3
HBD
121.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25ClN8O2
MW 468.95
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.58

Data from ChEMBL 36 via Core Engine