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Compound Detail

CHEMBL172148

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Cc1cc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)C(C)C(=O)C(C)C3=O)cc2)nc(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL172148
Phase Preclinical
Structure Type MOL
InChI Key CDURTDLOPLXSNP-YLXMOPCTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
2.11
ALogP
9
HBA
3
HBD
154.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N6O4S
MW 442.50
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.32

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