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Compound Detail

CHEMBL1243086

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CCCc1cc(O)c(Oc2ccc(C#N)cc2Cl)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1243086
Phase Preclinical
Structure Type MOL
InChI Key NUNRUTDTVCMDGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

303.8
MW (Da)
4.37
ALogP
4
HBA
2
HBD
73.5
PSA (Ų)
0.88
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 C16H14ClNO3
MW 303.75
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.37

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