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

CHEMBL250927

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
c1ccc2nc(N[C@H]3CCC[C@H](NCc4ccsc4)C3)ccc2c1

Basic Information

ChEMBL ID CHEMBL250927
Phase Preclinical
Structure Type MOL
InChI Key OJROUYKKWDNZOD-ROUUACIJSA-N
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
4.81
ALogP
4
HBA
2
HBD
37.0
PSA (Ų)
0.70
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 C20H23N3S
MW 337.49
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.41

Activity Summary

IC50 2 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 7.17 6.9 68.0 2

Pharmacokinetic Data

Parameter Value Units Species
CL - - Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17532215 10.1016/j.bmcl.2007.05.034 Melanin-concentrating hormone receptor 1 2
17532215 10.1016/j.bmcl.2007.05.034 Liver microsomes 1

Data from ChEMBL 36 via Core Engine