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Compound Detail

CHEMBL99131

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C#C[C@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99131
Phase Preclinical
Structure Type MOL
InChI Key LMPQMWCSENOFHW-AAQQEJRNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

267.2
MW (Da)
-2.56
ALogP
8
HBA
4
HBD
130.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N3O5
MW 267.24
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.39

Literature References

PubMed DOI Target Context # Activities
9667977 10.1021/jm9801814 L1210 1
9667977 10.1021/jm9801814 KB 1

Data from ChEMBL 36 via Core Engine