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

CHEMBL4079833

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
c1ccc(-c2ccccc2Oc2ccc(CCCn3cc(-c4cccnc4)nn3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4079833
Phase Preclinical
Structure Type MOL
InChI Key RBDDNHJLCXISDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
6.43
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24N4O
MW 432.53
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
28165742 10.1021/acs.jmedchem.6b01392 SH-SY5Y 1
28165742 10.1021/acs.jmedchem.6b01392 Nicotinamide phosphoribosyltransferase 1

Data from ChEMBL 36 via Core Engine