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Compound Detail

CHEMBL4115471

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N[C@@H]1CCCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)CC1

Basic Information

ChEMBL ID CHEMBL4115471
Phase Preclinical
Structure Type MOL
InChI Key RTXQHIFTFRSOGY-CQSZACIVSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
3.54
ALogP
6
HBA
2
HBD
96.6
PSA (Ų)
0.54
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 C22H22FN7
MW 403.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.38

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