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Compound Detail

CHEMBL3949620

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CCc1ccc(-c2n[nH]c3cnc(-c4cnn(CC)c4)cc23)nc1N1CCC[C@H](N)C1

Basic Information

ChEMBL ID CHEMBL3949620
Phase Preclinical
Structure Type MOL
InChI Key MCRHVULASBRJTF-KRWDZBQOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
3.39
ALogP
7
HBA
2
HBD
101.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N8
MW 416.53
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.45

Activity Summary

Ki 2 meas. best 10.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 10.89 10.89 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine