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Compound Detail

CHEMBL1181363

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CCCCCCc1noc(C2CN=CNC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181363
Phase Preclinical
Structure Type MOL
InChI Key JYXQZNHNZREZJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
1.91
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N4O
MW 236.32
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.87

Data from ChEMBL 36 via Core Engine