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Compound Detail

CHEMBL292028

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CN(C)C(=O)Oc1nsnc1-c1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL292028
Phase Preclinical
Structure Type MOL
InChI Key HIBJOZRCQRZAPY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

283.7
MW (Da)
2.92
ALogP
5
HBA
0
HBD
55.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10ClN3O2S
MW 283.74
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.49

Activity Summary

EC50 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MT4
CHEMBL388
EC50 6.5 6.5 320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MT4 EC50 = 320.0 nM 6.5 Compound was evaluated for the inhibition of HIV-1 induced CPE (HTLV-III B strai... 7540208

Literature References

PubMed DOI Target Context # Activities
7540208 10.1021/jm00012a002 MT4 2
7540208 10.1021/jm00012a002 Unchecked 1

Data from ChEMBL 36 via Core Engine