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Compound Detail

CHEMBL23883

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COc1cc2[nH]c(-c3ccccc3)c(C=O)c2cc1-c1cnco1

Basic Information

ChEMBL ID CHEMBL23883
Phase Preclinical
Structure Type MOL
InChI Key GEBHKLFQAVRTKT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
4.31
ALogP
4
HBA
1
HBD
68.1
PSA (Ų)
0.57
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 C19H14N2O3
MW 318.33
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness 0.04

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Inosine-5'-monophosphate dehydrogenase 2
CHEMBL2002
IC50 6.64 6.64 230.0 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