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Compound Detail

CHEMBL512321

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O=c1[nH]c(=O)n([C@H]2C[C@H](SS[C@H]3C[C@H](n4cc(Br)c(=O)[nH]c4=O)O[C@@H]3CO)[C@@H](CO)O2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512321
Phase Preclinical
Structure Type MOL
InChI Key WLVJMXSECSFHRE-UYYXNEDZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

644.3
MW (Da)
0.29
ALogP
12
HBA
4
HBD
168.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20Br2N4O8S2
MW 644.32
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.18

Activity Summary

EC50 1 meas.

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