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Compound Detail

CHEMBL4107359

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Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)CC5)n4)n[nH]c3cn2)cn1

Basic Information

ChEMBL ID CHEMBL4107359
Phase Preclinical
Structure Type MOL
InChI Key JUXYREUMIHGZST-OAHLLOKOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
2.74
ALogP
7
HBA
2
HBD
101.5
PSA (Ų)
0.56
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 C21H24N8
MW 388.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.76

Activity Summary

Ki 2 meas. best 10.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 10.52 10.52 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine