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Compound Detail

CHEMBL1989265

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CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n21

Basic Information

ChEMBL ID CHEMBL1989265
Phase Preclinical
Structure Type MOL
InChI Key SHNZBTHVGXHLLD-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
2.04
ALogP
6
HBA
2
HBD
88.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18FN3O3S
MW 363.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.50

Activity Summary

Ki 9 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.6 6.6 251.2 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 6.5 6.5 316.2 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.8 5.8 1584.9 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 5.6 5.6 2511.9 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 5.4 5.4 3981.1 1
Casein kinase I isoform gamma-3
CHEMBL5084
Ki 5.2 5.2 6309.6 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
Ki 5.1 5.1 7943.3 1
Interleukin-1 receptor-associated kinase 1
CHEMBL3357
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine