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Compound Detail

CHEMBL3692910

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O=S(=O)(c1ccc2[nH]ccc2c1)c1cc(Cl)c2oc3c(c2c1)CNCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3692910
Phase Preclinical
Structure Type MOL
InChI Key GDWCIBQZAHBQLG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.9
MW (Da)
4.05
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15ClN2O3S
MW 386.86
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.93

Activity Summary

Ki 2 meas. best 9.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
 Ki 9.89 9.89 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 6 Ki = 0.13 nM 9.89 Radioligand Binding Assay: For binding analysis vs. the human receptor, samples ... -
5-hydroxytryptamine receptor 6 Ki = 0.13 nM 9.89 Radioligand Binding Assay: For binding analysis vs. the human receptor, samples ... -

Data from ChEMBL 36 via Core Engine