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Compound Detail

CHEMBL1178338

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CCC(C)Cc1noc(C2CN=CNC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178338
Phase Preclinical
Structure Type MOL
InChI Key YWAOHMHVQSSGOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
1.37
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18N4O
MW 222.29
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine