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

CHEMBL478130

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
COC(C)Cc1cc(C)cc(N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478130
Phase Preclinical
Structure Type MOL
InChI Key YDKPONZLNADWND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

180.2
MW (Da)
1.55
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N2O
MW 180.25
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
19323559 10.1021/jm801556h Nitric oxide synthase, inducible 1
19323559 10.1021/jm801556h Nitric oxide synthase 3 1
19323559 10.1021/jm801556h Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine