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Compound Detail

CHEMBL296092

TIBO
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CC(C)=CCN1Cc2cc(Cl)cc3nc(S)n(c23)CC1C

Basic Information

ChEMBL ID CHEMBL296092
Name TIBO
Phase Preclinical
Structure Type MOL
InChI Key RCSLUNOLLUVOOG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

321.9
MW (Da)
4.15
ALogP
4
HBA
1
HBD
21.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H20ClN3S
MW 321.88
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.71

Activity Summary

IC50 2 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
IC50 7.48 7.48 33.0 1
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 7.37 7.37 43.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80447-3 MT2 4
8667357 10.1021/jm950589q Human immunodeficiency virus type 1 reverse transcriptase 1
15801834 10.1021/jm049606e Human immunodeficiency virus 1 1
- 10.1007/s00044-011-9742-x Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine