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Compound Detail

CHEMBL3908352

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C[C@H]1CN(c2cccc(-c3n[nH]c4cnc(-c5cnn(CCF)c5)cc34)n2)CCN1

Basic Information

ChEMBL ID CHEMBL3908352
Phase Preclinical
Structure Type MOL
InChI Key NXUDAQNZZZTJRO-AWEZNQCLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
2.65
ALogP
7
HBA
2
HBD
87.5
PSA (Ų)
0.53
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 C21H23FN8
MW 406.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.52

Activity Summary

Ki 2 meas. best 10.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 10.53 10.53 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine