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Compound Detail

CHEMBL610238

BETANMN
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NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL610238
Name BETANMN
Phase Preclinical
Structure Type MOL
InChI Key DAYLJWODMCOQEW-TURQNECASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

334.2
MW (Da)
-2.83
ALogP
7
HBA
4
HBD
166.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H15N2O8P
MW 334.22
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.74

Literature References

PubMed DOI Target Context # Activities
11206479 10.1016/s0960-894x(00)00608-9 Unchecked 2
1969483 10.1021/jm00166a007 Glutamate dehydrogenase 1, mitochondrial 1
1969483 10.1021/jm00166a007 Alcohol dehydrogenase 1
1969483 10.1021/jm00166a007 L-lactate dehydrogenase B chain 1
1969483 10.1021/jm00166a007 Malate dehydrogenase, cytoplasmic 1
16884311 10.1021/jm060490r 2-dehydropantoate 2-reductase 1

Data from ChEMBL 36 via Core Engine