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Compound Detail

CHEMBL567424

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Nc1nc2nc3c(nc2c(=O)[nH]1)CCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL567424
Phase Preclinical
Structure Type MOL
InChI Key SUBWAJSVGDLEOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
0.17
ALogP
5
HBA
2
HBD
97.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11N5O
MW 217.23
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.18

Literature References

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

Data from ChEMBL 36 via Core Engine