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Compound Detail

CHEMBL5870386

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Cn1cc(-c2cc3c(N4CCC(NS(=O)(=O)c5cc(Cl)cs5)CC4)ncnc3[nH]2)cn1

Basic Information

ChEMBL ID CHEMBL5870386
Phase Preclinical
Structure Type MOL
InChI Key CBCMZIHECPMJII-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.0
MW (Da)
3.02
ALogP
8
HBA
2
HBD
108.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20ClN7O2S2
MW 478.00
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.97

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