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Compound Detail

CHEMBL4063060

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O=C(CNC(=O)c1ccccc1/N=C/c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4063060
Phase Preclinical
Structure Type MOL
InChI Key FAMOVEOZQKXBMS-TYBVMAERSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

453.3
MW (Da)
4.62
ALogP
4
HBA
2
HBD
82.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18Cl2N4O2
MW 453.33
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania aethiopica
CHEMBL612651
 IC50 7.28 7.28 52.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania aethiopica IC50 = 52.0 nM 7.28 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