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Compound Detail

CHEMBL577757

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Cn1c(=O)c2nc(C(=O)O)c(=O)[nH]c2n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL577757
Phase Preclinical
Structure Type MOL
InChI Key HXXQJEUEICLLLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

252.2
MW (Da)
-1.98
ALogP
7
HBA
2
HBD
127.0
PSA (Ų)
0.60
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 C9H8N4O5
MW 252.19
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
19899766 10.1021/jm900861d Dihydropteroate synthase 2

Data from ChEMBL 36 via Core Engine