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Compound Detail

CHEMBL3892821

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N[C@H]1CCCCN(c2cccc(-c3n[nH]c4cnc(-c5cnn(CCF)c5)cc34)n2)C1

Basic Information

ChEMBL ID CHEMBL3892821
Phase Preclinical
Structure Type MOL
InChI Key XXEBBXOTFNCOMU-INIZCTEOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
3.17
ALogP
7
HBA
2
HBD
101.5
PSA (Ų)
0.51
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 C22H25FN8
MW 420.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.59

Activity Summary

Ki 2 meas. best 10.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 10.6 10.6 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine