Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4596476

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[n+]1ccc(/C=N/NC(=O)c2cccc(C(=O)N/N=C/c3cc[n+](C)cc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596476
Phase Preclinical
Structure Type MOL
InChI Key MPVGCBNWLMQWLC-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
0.26
ALogP
5
HBA
2
HBD
103.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N7O2+2
MW 403.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.99

Data from ChEMBL 36 via Core Engine