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Compound Detail

CHEMBL55588

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CNc1cc(O)nc(N)n1

Basic Information

ChEMBL ID CHEMBL55588
Phase Preclinical
Structure Type MOL
InChI Key RBVDPKHBXVBBRR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

140.2
MW (Da)
-0.19
ALogP
5
HBA
3
HBD
84.1
PSA (Ų)
0.50
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 C5H8N4O
MW 140.15
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.99

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