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Compound Detail

CHEMBL5900769

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O=C(NCc1ccc(Cl)cc1)N1CCN(c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5900769
Phase Preclinical
Structure Type MOL
InChI Key YSWMRYYPOZRMQV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

464.9
MW (Da)
4.45
ALogP
4
HBA
2
HBD
77.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22ClFN6O
MW 464.93
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.71

Activity Summary

Ki 1 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