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Compound Detail

CHEMBL5762557

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CC1(C(F)(F)F)NC(=O)c2ccc(Nc3cc(/C=C/C4CC4)ncn3)c(=O)n21

Basic Information

ChEMBL ID CHEMBL5762557
Phase Preclinical
Structure Type MOL
InChI Key FGFUUBCEERIDBQ-SNAWJCMRSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
2.78
ALogP
6
HBA
2
HBD
88.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16F3N5O2
MW 391.35
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.26

Activity Summary

IC50 2 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
IC50 7.26 7.26 55.0 1
MAP kinase-interacting serine/threonine-protein kinase 1
CHEMBL4718
IC50 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine