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Compound Detail

CHEMBL3648693

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Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CC[C@H](N)CC(F)(F)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3648693
Phase Preclinical
Structure Type MOL
InChI Key ZZBJYTBWZCWFCE-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
2.41
ALogP
8
HBA
3
HBD
128.0
PSA (Ų)
0.55
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 C21H23F3N8O
MW 460.46
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.26

Activity Summary

Ki 1 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
 Ki 11.0 11.0 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 Ki = 0.01 nM 11.0 Pim Kinase Binding Activity: PIM-1, -2, and -3 enzymes were generated as fusion ... -

Data from ChEMBL 36 via Core Engine