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Compound Detail

CHEMBL1367319

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O=C(c1ccco1)C12CN3CN(CN(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1367319
Phase Preclinical
Structure Type MOL
InChI Key CKTKQIYIBIHXME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
0.27
ALogP
5
HBA
0
HBD
39.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O2
MW 233.27
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine