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Compound Detail

CHEMBL1243054

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Nc1ncccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1243054
Phase Preclinical
Structure Type MOL
InChI Key RRAMCIZUXAAMIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

339.8
MW (Da)
4.36
ALogP
4
HBA
2
HBD
77.2
PSA (Ų)
0.74
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 C18H14ClN3O2
MW 339.78
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
20698542 10.1021/jm9017724 Toxoplasma gondii 2
20698542 10.1021/jm9017724 HFF 1
20698542 10.1021/jm9017724 Enoyl-acyl carrier reductase 1

Data from ChEMBL 36 via Core Engine