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Compound Detail

CHEMBL175107

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CS(=O)(=O)c1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL175107
Phase Preclinical
Structure Type MOL
InChI Key PHKPHJDDYJNLMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.50
ALogP
6
HBA
0
HBD
84.4
PSA (Ų)
0.66
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 C16H10N2O4S2
MW 358.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
9083480 10.1021/jm960596u Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine