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Compound Detail

CHEMBL5959593

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O=C(CSC(c1ccccc1)c1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5959593
Phase Preclinical
Structure Type MOL
InChI Key ZXHOJBZNAWSCEP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.4
MW (Da)
6.57
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23Cl2NOS
MW 444.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.00

Activity Summary

Ki 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium-dependent dopamine transporter
CHEMBL338
 Ki 6.64 6.64 228.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium-dependent dopamine transporter Ki = 228.0 nM 6.64 Dopamine Transporter Binding Assay: Brains from male Sprague-Dawley rats weighin... -

Data from ChEMBL 36 via Core Engine