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Compound Detail

CHEMBL3634777

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Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3O[C@@H]3CCCNC3)cc12

Basic Information

ChEMBL ID CHEMBL3634777
Phase Preclinical
Structure Type MOL
InChI Key FHAPDLVADXCIGY-CQSZACIVSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
3.96
ALogP
5
HBA
2
HBD
75.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20FN5O
MW 389.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.72

Activity Summary

Ki 3 meas. best 9.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 9.96 9.96 0.1 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
Ki 8.77 8.77 1.7 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 8.47 8.47 3.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26459208 10.1016/j.bmcl.2015.09.052 Serine/threonine-protein kinase pim-1 1
26459208 10.1016/j.bmcl.2015.09.052 Serine/threonine-protein kinase pim-2 1
26459208 10.1016/j.bmcl.2015.09.052 Serine/threonine-protein kinase pim-3 1

Data from ChEMBL 36 via Core Engine