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Compound Detail

CHEMBL129055

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CC(=O)C1(/N=N/c2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)CCOC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL129055
Phase Preclinical
Structure Type MOL
InChI Key VOUJPBIIZGLQJV-DYTRJAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
2.45
ALogP
9
HBA
1
HBD
140.3
PSA (Ų)
0.44
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 C17H18N4O6S
MW 406.42
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.08

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
9083480 10.1021/jm960596u Human immunodeficiency virus type 1 integrase 2
14711310 10.1021/jm030378i Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine