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Compound Detail

CHEMBL23842

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COc1cc2[nH]c(-c3ccccc3)c(C#N)c2cc1-c1cnco1

Basic Information

ChEMBL ID CHEMBL23842
Phase Preclinical
Structure Type MOL
InChI Key MGVKGGBGHKBCSB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
4.37
ALogP
4
HBA
1
HBD
74.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13N3O2
MW 315.33
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Inosine-5'-monophosphate dehydrogenase 2
CHEMBL2002
IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12657262 10.1016/s0960-894x(03)00109-4 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine