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Compound Detail

CHEMBL1353324

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Cc1ccc(NC(S)=NCc2ccccc2)cc1S(=O)(=O)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1353324
Phase Preclinical
Structure Type MOL
InChI Key HRFVMXKRYBXNOG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.6
MW (Da)
4.07
ALogP
3
HBA
2
HBD
61.8
PSA (Ų)
0.45
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 C20H25N3O2S2
MW 403.57
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.82

Activity Summary

IC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Intestinal-type alkaline phosphatase
CHEMBL3151
 IC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Intestinal-type alkaline phosphatase IC50 = 1400.0 nM 5.85 PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... -

Data from ChEMBL 36 via Core Engine