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Compound Detail

CHEMBL3652638

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Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@@H](N)CC1

Basic Information

ChEMBL ID CHEMBL3652638
Phase Preclinical
Structure Type MOL
InChI Key JEVIKKKBDOXJFA-LLVKDONJSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
2.97
ALogP
8
HBA
3
HBD
115.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23F2N7OS
MW 447.52
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.71

Activity Summary

Ki 6 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 11.0 11.0 0.0 2
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 10.62 10.62 0.0 2
Serine/threonine-protein kinase pim-2
CHEMBL4523
Ki 9.78 9.78 0.2 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine