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Compound Detail

CHEMBL1975208

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CC(=O)NC1CCN(c2nc3[nH]cc(C(=O)O)c(=O)c3c(C)c2F)C1

Basic Information

ChEMBL ID CHEMBL1975208
Phase Preclinical
Structure Type MOL
InChI Key BZBXKKJGOVUTDG-UHFFFAOYSA-N
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
0.78
ALogP
5
HBA
3
HBD
115.4
PSA (Ų)
0.76
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 C16H17FN4O4
MW 348.33
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.91

Activity Summary

Ki 6 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase I isoform gamma-1
CHEMBL2426
Ki 6.6 6.3 251.2 2
SRSF protein kinase 1
CHEMBL4375
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 5.3 5.25 5011.9 2
Dual specificity tyrosine-phosphorylation-regulated kinase 3
CHEMBL4575
Ki 5.2 5.2 6309.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine