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Compound Detail

CHEMBL4594875

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N#Cc1ccccc1-c1ccc(CN2C3=NCCCCN3c3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594875
Phase Preclinical
Structure Type MOL
InChI Key BWSCVXQQKFQKNA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
5.20
ALogP
4
HBA
0
HBD
42.6
PSA (Ų)
0.63
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N4
MW 378.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.06

Data from ChEMBL 36 via Core Engine