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Compound Detail

CHEMBL56748

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CNc1nc(N)nc(O)c1C=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56748
Phase Preclinical
Structure Type MOL
InChI Key KMXHEVRZRAEVSB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

168.2
MW (Da)
-0.38
ALogP
6
HBA
3
HBD
101.1
PSA (Ų)
0.52
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 C6H8N4O2
MW 168.16
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.07

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3906132 10.1021/jm00150a019 Dihydropteroate synthase 2

Data from ChEMBL 36 via Core Engine