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Compound Detail

CHEMBL4585232

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CCc1nc(C(N)=O)c(Nc2cccc(C)c2)nc1NCCN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4585232
Phase Preclinical
Structure Type MOL
InChI Key VXDOHSJPPSBACW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.16
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N6O
MW 342.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.40

Data from ChEMBL 36 via Core Engine