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Compound Detail

CHEMBL3926542

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Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCN(C)CC1

Basic Information

ChEMBL ID CHEMBL3926542
Phase Preclinical
Structure Type MOL
InChI Key RSRCWMFXYSDZGP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
2.48
ALogP
7
HBA
1
HBD
78.8
PSA (Ų)
0.58
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 -1.66

Activity Summary

Ki 2 meas. best 10.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 10.54 10.54 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine