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

CHEMBL233235

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
c1cn(-c2ccc(OCC3CCCN(Cc4ccc5c(c4)OCO5)C3)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233235
Phase Preclinical
Structure Type MOL
InChI Key BTLHTJHGHUZMRN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
3.89
ALogP
6
HBA
0
HBD
48.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O3
MW 391.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
17368901 10.1016/j.bmcl.2007.02.053 A 172 1
17368901 10.1016/j.bmcl.2007.02.053 Nitric oxide synthase, inducible 1
17368901 10.1016/j.bmcl.2007.02.053 Nitric oxide sythases; iNOS & nNOS 1
17368901 10.1016/j.bmcl.2007.02.053 Unchecked 1

Data from ChEMBL 36 via Core Engine