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Compound Detail

CHEMBL4651225

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Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCc1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4651225
Phase Preclinical
Structure Type MOL
InChI Key XOBLVNWJULEVNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.6
MW (Da)
4.74
ALogP
2
HBA
1
HBD
35.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N4+
MW 387.55
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine