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Compound Detail

CHEMBL341067

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CC(=O)C1(/N=N/c2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)CCOC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL341067
Phase Preclinical
Structure Type MOL
InChI Key SEQHLNPJWFZWSM-LVZFUZTISA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
2.01
ALogP
10
HBA
1
HBD
140.0
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 C15H15N5O5S2
MW 409.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.28

Activity Summary

IC50 5 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
- 10.1007/s00044-013-0545-0 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine