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Compound Detail

CHEMBL1243085

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C/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1243085
Phase Preclinical
Structure Type MOL
InChI Key HWGQVNFPRPGVED-MQQKCMAXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

329.8
MW (Da)
4.91
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16ClNO3
MW 329.78
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.26

Literature References

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

Data from ChEMBL 36 via Core Engine