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Compound Detail

CHEMBL3634785

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O=C(Nc1cn[nH]c1)c1cccnc1

Basic Information

ChEMBL ID CHEMBL3634785
Phase Preclinical
Structure Type MOL
InChI Key YOVPEUNLYJIRJF-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

188.2
MW (Da)
1.06
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8N4O
MW 188.19
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -2.47

Activity Summary

Ki 3 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 5.54 5.54 2900.0 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 5.48 5.48 3300.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
Ki 4.82 4.82 15000.0 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