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Compound Detail

CHEMBL2032371

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NC(=O)c1ccc2cccc(O)c2n1

Basic Information

ChEMBL ID CHEMBL2032371
Phase Preclinical
Structure Type MOL
InChI Key SDLPADBAAMHWQB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

188.2
MW (Da)
1.04
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.70
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 C10H8N2O2
MW 188.19
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22339127 10.1021/jm2014698 Serine/threonine-protein kinase pim-1 1
34779640 10.1021/acs.jmedchem.1c01318 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine