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Compound Detail

CHEMBL284144

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COc1cc2c(cc1OC)C(=O)N1CSCC1C(=O)S2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL284144
Phase Preclinical
Structure Type MOL
InChI Key WEVKCUPTYBGFTJ-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
1.85
ALogP
6
HBA
0
HBD
55.8
PSA (Ų)
0.83
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 C13H13NO4S2
MW 311.38
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.23

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
10464020 10.1021/jm990047z Human immunodeficiency virus type 1 integrase 2
10464020 10.1021/jm990047z CCRF-CEM 2
15006380 10.1016/j.bmcl.2004.01.027 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine