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Compound Detail

CHEMBL5874730

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O=S(=O)(Nc1ccc(-c2ncnc3[nH]c(-c4ccc(F)cc4F)cc23)c(F)c1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5874730
Phase Preclinical
Structure Type MOL
InChI Key MOQXISQZUCPBDM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.4
MW (Da)
4.61
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15F3N4O2S
MW 444.44
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.24

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 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mast/stem cell growth factor receptor Kit Ki = 500.0 nM 6.3 Cell-Based Assays of c-Kit Mutant Kinase Activity: The c-Kit mutant D816V inhibi... -

Data from ChEMBL 36 via Core Engine