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Compound Detail

CHEMBL1199390

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CN1/C(=C\N=N\c2ccccc2)C(C)(C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199390
Phase Preclinical
Structure Type MOL
InChI Key QYQPYSMHVQAYIX-CAUPHXMNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
5.04
ALogP
3
HBA
0
HBD
28.0
PSA (Ų)
0.71
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3
MW 277.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine