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Compound Detail

CHEMBL470293

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O=c1nc(O)ccn1[C@H]1C[C@H](SS[C@H]2C[C@H](n3ccc(O)nc3=O)O[C@@H]2CO)[C@@H](CO)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470293
Phase Preclinical
Structure Type MOL
InChI Key CYWMLKMYTYQVLL-ZNNLQBODSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

486.5
MW (Da)
-0.41
ALogP
14
HBA
4
HBD
169.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O8S2
MW 486.53
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
18556209 10.1016/j.bmc.2008.05.065 Human immunodeficiency virus 1 1
18556209 10.1016/j.bmc.2008.05.065 Human immunodeficiency virus 2 1
18556209 10.1016/j.bmc.2008.05.065 ADMET 1

Data from ChEMBL 36 via Core Engine