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Compound Detail

CHEMBL173696

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COc1cc(NS(=O)(=O)c2ccc(C(C)=O)cc2)nc(OC)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL173696
Phase Preclinical
Structure Type MOL
InChI Key AATBMCDXJZQKHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
1.50
ALogP
7
HBA
1
HBD
107.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N3O5S
MW 337.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.53

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