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Compound Detail

CHEMBL4785558

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O=C(Nc1ccc(Cl)cc1)N1CCCC1c1nc(-c2ccccc2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4785558
Phase Preclinical
Structure Type MOL
InChI Key AXXUHIDVIKIKLD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.8
MW (Da)
4.76
ALogP
4
HBA
1
HBD
71.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClN4O2
MW 368.82
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.08

Activity Summary

IC50 2 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Haemonchus contortus
CHEMBL613144
 IC50 6.51 5.985 310.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Haemonchus contortus IC50 = 310.0 nM 6.51 Anti-helmintic activity against fourth stage of Haemonchus contortus larvae asse... 32018095
Haemonchus contortus IC50 = 3460.0 nM 5.46 Anti-helmintic activity against third-stage Haemonchus contortus larvae assessed... 32018095

Literature References

PubMed DOI Target Context # Activities
32018095 10.1016/j.ejmech.2020.112100 Haemonchus contortus 2

Data from ChEMBL 36 via Core Engine