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Compound Detail

CHEMBL2368206

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OC[C@@H]1C=C[C@H](c2cnc(O)nc2O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2368206
Phase Preclinical
Structure Type MOL
InChI Key OHFWLWCJZZTMJW-CAHLUQPWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

210.2
MW (Da)
-0.12
ALogP
6
HBA
3
HBD
95.7
PSA (Ų)
0.59
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 C9H10N2O4
MW 210.19
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.94

Literature References

PubMed DOI Target Context # Activities
2918508 10.1021/jm00123a018 Human immunodeficiency virus 1 1
2918508 10.1021/jm00123a018 ADMET 1

Data from ChEMBL 36 via Core Engine