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

CHEMBL3401471

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
Cc1sc2nc(CCCCN3CCN(Cc4ccccc4)CC3)[nH]c(=O)c2c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3401471
Phase Preclinical
Structure Type MOL
InChI Key KNKRHSHJXYRJSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.6
MW (Da)
3.74
ALogP
5
HBA
1
HBD
52.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N4OS
MW 410.59
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.82

Literature References

PubMed DOI Target Context # Activities
25759032 10.1016/j.bmcl.2015.02.042 5-hydroxytryptamine receptor 1A 1
25759032 10.1016/j.bmcl.2015.02.042 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine