Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3623037

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
[2H]C([2H])([2H])NC(=O)[C@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3623037
Phase Preclinical
Structure Type MOL
InChI Key WORZSRYKTGYIKJ-JOTALGBPSA-N
Parent Compound CHEMBL3621224
Active Moiety CHEMBL3621224
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

344.8
MW (Da)
2.42
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClN2O3
MW 347.82
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.40

Activity Summary

EC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
 EC50 7.4 7.4 40.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 1.9 mL.min-1.kg-1 Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei brucei EC50 = 40.0 nM 7.4 Antitrypanosomal activity against Trypanosoma brucei brucei BSF427 VSG118 bloods... 26418485

Literature References

PubMed DOI Target Context # Activities
26418485 10.1021/acs.jmedchem.5b00596 Trypanosoma brucei brucei 1
26418485 10.1021/acs.jmedchem.5b00596 MRC5 1
26418485 10.1021/acs.jmedchem.5b00596 Liver 1

Data from ChEMBL 36 via Core Engine