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

CHEMBL4171523

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
CC(=N)NCc1cccc(CNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c1.Cl.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4171523
Phase Preclinical
Structure Type MOL
InChI Key OIHQKQVRKYAODZ-TXEPZDRESA-N
Parent Compound CHEMBL4300116
Active Moiety CHEMBL4300116
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
2.44
ALogP
3
HBA
5
HBD
106.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27Cl2N5O
MW 436.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
29689474 10.1016/j.ejmech.2018.04.027 Nitric oxide synthase 3 1
29689474 10.1016/j.ejmech.2018.04.027 Nitric oxide synthase, inducible 1

Data from ChEMBL 36 via Core Engine