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Compound Detail

CHEMBL3634788

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Cc1n[nH]c2cnc(-c3cn[nH]c3)cc12

Basic Information

ChEMBL ID CHEMBL3634788
Phase Preclinical
Structure Type MOL
InChI Key MPJZDLDOQBVNLJ-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
1.66
ALogP
3
HBA
2
HBD
70.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9N5
MW 199.22
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -1.83

Activity Summary

Ki 5 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.52 6.52 300.0 3
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 6.4 6.4 400.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
Ki 6.05 6.05 900.0 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