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Compound Detail

CHEMBL3933719

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Cc1nc2cccc(-c3[nH]c4c(c3Cl)C(=O)N[C@@H]4C)c2nc1NC1(C)CC1

Basic Information

ChEMBL ID CHEMBL3933719
Phase Preclinical
Structure Type MOL
InChI Key AZVAKSGTTHXSPK-SECBINFHSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

381.9
MW (Da)
4.36
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.63
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 C20H20ClN5O
MW 381.87
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.07

Activity Summary

IC50 3 meas. best 9.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 9.59 9.59 0.3 2
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine