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

CHEMBL2396907

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(CCCNc2nc3ccccc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2396907
Phase Preclinical
Structure Type MOL
InChI Key KVLNHVGHLGUYSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
3.61
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3
MW 251.33
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
23719283 10.1016/j.bmc.2013.05.001 HepG2 1
23719283 10.1016/j.bmc.2013.05.001 PC-12 1
23719283 10.1016/j.bmc.2013.05.001 Cholinesterase 1
23719283 10.1016/j.bmc.2013.05.001 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine