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Compound Detail

CHEMBL3934383

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OCC#Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1

Basic Information

ChEMBL ID CHEMBL3934383
Phase Preclinical
Structure Type MOL
InChI Key AZUDXPDVDQXJJH-UHFFFAOYSA-N
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
1.03
ALogP
9
HBA
2
HBD
104.9
PSA (Ų)
0.48
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 C22H20N8O
MW 412.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.01

Activity Summary

Ki 4 meas. best 10.49
IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 10.49 10.49 0.0 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 10.05 10.05 0.1 2
Serine/threonine-protein kinase pim-2
CHEMBL4523
Ki 9.64 9.64 0.2 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine