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Compound Detail

CHEMBL4083335

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CC(NC(=O)c1ccccc1N)C(=O)NN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4083335
Phase Preclinical
Structure Type MOL
InChI Key XJGYMILACFFFJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
-0.62
ALogP
4
HBA
4
HBD
110.2
PSA (Ų)
0.24
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 C10H14N4O2
MW 222.25
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 6.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania aethiopica
CHEMBL612651
 IC50 6.73 6.73 185.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania aethiopica IC50 = 185.0 nM 6.73 Antileishmanial activity against promastigote stage of Leishmania aethiopica ass... 28087274

Literature References

PubMed DOI Target Context # Activities
28087274 10.1016/j.bmcl.2017.01.003 Mus musculus 9
28087274 10.1016/j.bmcl.2017.01.003 Leishmania aethiopica 1

Data from ChEMBL 36 via Core Engine