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

CHEMBL1672357

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
NC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672357
Phase Preclinical
Structure Type MOL
InChI Key TZBPRPRBMCXUQP-UHFFFAOYSA-N
4
Targets
12
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

326.2
MW (Da)
4.30
ALogP
2
HBA
1
HBD
43.1
PSA (Ų)
0.89
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 C15H13Cl2NOS
MW 326.25
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.91

Activity Summary

Ki 12 meas. best 5.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium-dependent dopamine transporter
CHEMBL338
 Ki 5.65 5.65 2230.0 4
Sodium-dependent serotonin transporter
CHEMBL313
 Ki 4.9 4.9 12700.0 4
Unchecked
CHEMBL612545
 Ki 4.28 4.28 52100.0 1
Transporter
CHEMBL6184
 Ki 4.28 4.28 52100.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium-dependent dopamine transporter Ki = 2230.0 nM 5.65 Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes 21344069
Sodium-dependent dopamine transporter Ki = 2230.0 nM 5.65 Dopamine Transporter Binding Assay: Brains from male Sprague-Dawley rats weighin... -
Sodium-dependent dopamine transporter Ki = 2230.0 nM 5.65 Binding Assay: Dopamine Transporter Binding Assay. Brains from male Sprague-Dawl... -
Sodium-dependent dopamine transporter Ki = 2230.0 nM 5.65 Dopamine Transporter Binding Assay: Dopamine Transporter Binding Assay. Brains f... -
Sodium-dependent serotonin transporter Ki = 12700.0 nM 4.9 Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain membranes 21344069
Sodium-dependent serotonin transporter Ki = 12700.0 nM 4.9 Serotonin Transporter Binding Assay: Brains from male Sprague-Dawley rats weighi... -
Sodium-dependent serotonin transporter Ki = 12700.0 nM 4.9 Binding Assay: Serotonin Transporter Binding Assay. Brains from male Sprague-Daw... -
Sodium-dependent serotonin transporter Ki = 12700.0 nM 4.9 Serotonin Transporter Binding Assay: Serotonin Transporter Binding Assay. Brains... -
Transporter Ki = 52100.0 nM 4.28 Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat brain membranes 21344069
Transporter Ki = 52100.0 nM 4.28 Norepinephrine Transporter Binding Assay: Brains from male Sprague-Dawley rats w... -
Unchecked Ki = 52100.0 nM 4.28 Binding Assay: Norepinephrine Transporter Binding Assay. Brains from male Spragu... -
Transporter Ki = 52100.0 nM 4.28 Norepinephrine Transporter Binding Assay: Norepinephrine Transporter Binding Ass... -

Literature References

PubMed DOI Target Context # Activities
21344069 10.1021/ml1002025 Sodium-dependent dopamine transporter 1
21344069 10.1021/ml1002025 Sodium-dependent serotonin transporter 1
21344069 10.1021/ml1002025 Transporter 1

Data from ChEMBL 36 via Core Engine