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Compound Detail

CHEMBL3689722

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Cc1c(F)cncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3689722
Phase Preclinical
Structure Type MOL
InChI Key UCEPCDMRMVOTNS-ZBFHGGJFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
4.04
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15F2N3O
MW 339.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.68

Activity Summary

Ki 1 meas. best 10.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase ABL1
CHEMBL1862
 Ki 10.73 10.73 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase ABL1 Ki = 0.0186 nM 10.73 In Vitro Enzyme Assay: Using the following procedure, varying concentration of c... -

Data from ChEMBL 36 via Core Engine