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

CHEMBL3692993

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
COc1cc(S(=O)(=O)c2cc(F)cc(Cl)c2)cc2c3c(oc12)CCNC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3692993
Phase Preclinical
Structure Type MOL
InChI Key KKSMBMMMHXWXBI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.8
MW (Da)
3.71
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15ClFNO4S
MW 395.84
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.83

Activity Summary

Ki 1 meas. best 9.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
 Ki 9.96 9.96 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 6 Ki = 0.11 nM 9.96 Radioligand Binding Assay: For binding analysis vs. the human receptor, samples ... -

Data from ChEMBL 36 via Core Engine