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Compound Detail

CHEMBL367419

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O=C(Nc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)cc1)C(N1CC1)(N1CC1)N1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL367419
Phase Preclinical
Structure Type MOL
InChI Key HGDCEIFGXOXKLX-ULIFNZDWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

679.8
MW (Da)
3.70
ALogP
12
HBA
3
HBD
168.1
PSA (Ų)
0.14
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H29N9O5S3
MW 679.81
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness -1.29

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