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Compound Detail

CHEMBL301649

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CCN(CC)c1nc(N)nc(O)c1N=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL301649
Phase Preclinical
Structure Type MOL
InChI Key MCBIZXXBGDUADN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

211.2
MW (Da)
1.01
ALogP
7
HBA
2
HBD
104.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H13N5O2
MW 211.22
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.84

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3906132 10.1021/jm00150a019 Dihydropteroate synthase 1

Data from ChEMBL 36 via Core Engine