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Compound Detail

CHEMBL1243243

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COc1ccc(COc2ccn(Cc3ccccc3Cl)c(=O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1243243
Phase Preclinical
Structure Type MOL
InChI Key SYOUKVOBIPOTJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

355.8
MW (Da)
4.14
ALogP
4
HBA
0
HBD
40.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18ClNO3
MW 355.82
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.25

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