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Compound Detail

CHEMBL26419

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O=C(Nc1ccccc1)Nc1ccc2cnccc2c1Cl

Basic Information

ChEMBL ID CHEMBL26419
Phase Preclinical
Structure Type MOL
InChI Key VYWGQTIBHHYJAT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.8
MW (Da)
4.53
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.73
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 C16H12ClN3O
MW 297.75
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 5.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Inosine-5'-monophosphate dehydrogenase 2
CHEMBL2002
IC50 5.78 5.78 1660.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12657279 10.1016/s0960-894x(03)00107-0 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine