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Compound Detail

CHEMBL4301141

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CC(=N)NCc1cccc(CNC(=O)[C@@H](N)Cc2cnc[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301141
Phase Preclinical
Structure Type MOL
InChI Key YXNFEVAQTRYGPS-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
0.68
ALogP
4
HBA
5
HBD
119.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N6O
MW 314.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.18

Data from ChEMBL 36 via Core Engine