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Compound Detail

CHEMBL11624

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Nc1n[nH]c(NS(=O)(=O)c2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL11624
Phase Preclinical
Structure Type MOL
InChI Key FNBSLOOXCPRTGY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
0.19
ALogP
5
HBA
3
HBD
113.8
PSA (Ų)
0.71
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 C8H9N5O2S
MW 239.26
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.64

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania donovani
CHEMBL367
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania donovani IC50 = 2000.0 nM 5.7 The in vitro leishmanicidal activity by measuring the 3H thymidine incorporation... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00166-2 Leishmania donovani 2

Data from ChEMBL 36 via Core Engine