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Compound Detail

CHEMBL109297

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C/C=C/CSc1nc(O)cc(Cc2cccc(C)c2)n1

Basic Information

ChEMBL ID CHEMBL109297
Phase Preclinical
Structure Type MOL
InChI Key BNKGSGCPMVMCSR-ONEGZZNKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
3.75
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.52
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 C16H18N2OS
MW 286.40
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.08

Activity Summary

EC50 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MT4
CHEMBL388
EC50 5.1 5.1 8000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MT4 EC50 = 8000.0 nM 5.1 Dose required to achieve 50% protection of MT-4 cells from HIV-1 induced cytopat... 7650679

Literature References

PubMed DOI Target Context # Activities
7650679 10.1021/jm00017a010 MT4 3

Data from ChEMBL 36 via Core Engine