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Compound Detail

CHEMBL4111381

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N[C@@H]1CCCC(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1

Basic Information

ChEMBL ID CHEMBL4111381
Phase Preclinical
Structure Type MOL
InChI Key NCUPLGKFMQIZFI-BZSJEYESSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
4.07
ALogP
5
HBA
2
HBD
93.4
PSA (Ų)
0.57
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 C22H22N6
MW 370.46
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.69

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