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Compound Detail

CHEMBL5874115

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Cc1csc(S(=O)(=O)Nc2ccc(-c3ncnc4[nH]c(C)cc34)cc2)c1

Basic Information

ChEMBL ID CHEMBL5874115
Phase Preclinical
Structure Type MOL
InChI Key UIPNZNIASMDZQF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
4.10
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O2S2
MW 384.49
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.50

Activity Summary

Ki 2 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
Ki 6.3 5.78 500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine