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Compound Detail

CHEMBL4294956

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CCN(CC)c1nc(N[C@H](C)C2CC2)nc(-c2cccc(Cl)n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4294956
Phase Preclinical
Structure Type MOL
InChI Key XYQKRMAHYVIZRA-LLVKDONJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.9
MW (Da)
3.64
ALogP
6
HBA
1
HBD
66.8
PSA (Ų)
0.77
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 C17H23ClN6
MW 346.87
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine