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Compound Detail

CHEMBL32853

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O=C1c2ccccc2SCC2CSC(c3ccccc3)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL32853
Phase Preclinical
Structure Type MOL
InChI Key KQZZRKVVWZKYDI-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
4.05
ALogP
3
HBA
0
HBD
20.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NOS2
MW 313.45
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.64

Activity Summary

IC50 3 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine