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Compound Detail

CHEMBL536819

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N=C(N)Nc1ccc(C(=O)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536819
Phase Preclinical
Structure Type MOL
InChI Key DQULKEACJQUYBJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
2.22
ALogP
2
HBA
3
HBD
79.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3O
MW 239.28
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.56

Data from ChEMBL 36 via Core Engine