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

CHEMBL59235

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
CCCc1ccnc(N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59235
Phase Preclinical
Structure Type MOL
InChI Key CGGOAYCJQTWSOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

136.2
MW (Da)
1.62
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H12N2
MW 136.20
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness 0.69

Literature References

PubMed DOI Target Context # Activities
10987430 10.1016/s0960-894x(00)00389-9 Nitric oxide synthase, inducible 1
10987430 10.1016/s0960-894x(00)00389-9 Nitric oxide synthase 3 1
10987430 10.1016/s0960-894x(00)00389-9 Nitric oxide synthase 1 1
10987430 10.1016/s0960-894x(00)00389-9 Nitric oxide synthase (inducible and endothelial) 1
10987430 10.1016/s0960-894x(00)00389-9 Nitric oxide sythases; iNOS & nNOS 1

Data from ChEMBL 36 via Core Engine