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Compound Detail

CHEMBL299788

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CCCS(=O)(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL299788
Phase Preclinical
Structure Type MOL
InChI Key SLZMKOWWIONOMJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
2.90
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17F3N2O3S
MW 386.40
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
10937734 10.1016/s0960-894x(00)00321-8 Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine