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Compound Detail

CHEMBL4594872

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CC[n+]1cccc2cc(/C=N/NC(=O)c3cccc(C(=O)N/N=C/c4ccc5c(ccc[n+]5CC)c4)n3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594872
Phase Preclinical
Structure Type MOL
InChI Key PUKCXYAVBLCOCV-YMQWWVFYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

531.6
MW (Da)
3.53
ALogP
5
HBA
2
HBD
103.6
PSA (Ų)
0.18
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H29N7O2+2
MW 531.62
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine