Structure

InChI Key TXEIIPDJKFWEEC-UHFFFAOYSA-N
Smile O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChI
InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H7Cl2NO3
Molecular Weight 308.12
AlogP 4.5
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 63.33
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
STABILISER Transthyretin stabiliser PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Secreted protein
- 1550-3100 3-2800 - 99

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cardiomyopathies 4 D009202 ClinicalTrials
Amyloidosis, Familial 4 D028226 FDA
Amyloid Neuropathies, Familial 3 D028227 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
17.5
Cardiac disorders
12.5
Immune system disorders
10.0
Gastrointestinal disorders
7.5
Metabolism and nutrition disorders
7.5
Renal and urinary disorders
7.5
Injury, poisoning and procedural complications
5.0
Investigations
5.0
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
5.0
Nervous system disorders
5.0
Psychiatric disorders
5.0
Respiratory, thoracic and mediastinal disorders
5.0
Ear and labyrinth disorders
2.5
Hepatobiliary disorders
2.5
Skin and subcutaneous tissue disorders
2.5

Cross References

Resources Reference
CAS NUMBER 594839-88-0
ChEBI 78538
ChEMBL CHEMBL2103837
DrugBank DB11644
DrugCentral 4192
EPA CompTox DTXSID00208185
FDA SRS 8FG9H9D31J
Guide to Pharmacology 8378
PDB 3MI
PubChem 11001318
SureChEMBL SCHEMBL442508
ZINC ZINC000043206271