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Compound Detail

CHEMBL2032368

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FC(F)(F)c1ccc(-c2nnc3ccc(NC4CCCCC4)nn23)cc1

Basic Information

ChEMBL ID CHEMBL2032368
Phase Preclinical
Structure Type MOL
InChI Key PVKRXEQHNSCYHU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
4.55
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.74
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 C18H18F3N5
MW 361.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.04

Activity Summary

Ki 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22339127 10.1021/jm2014698 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine