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Compound Detail

CHEMBL4596235

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CC(NC/N=C/C1=CCNCC1)c1ccc2ncccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596235
Phase Preclinical
Structure Type MOL
InChI Key XKCISWNVNFDPMP-UDWIEESQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
2.83
ALogP
4
HBA
2
HBD
49.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4
MW 294.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine