Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: O2Z8Q22ZE4

Structure

InChI Key BXSZILNGNMDGSL-UHFFFAOYSA-N
Smile O=C(O)c1ccc(-c2ccc3cc(O)ccc3n2)c(Cl)c1
InChI
InChI=1S/C16H10ClNO3/c17-13-8-10(16(20)21)1-4-12(13)15-5-2-9-7-11(19)3-6-14(9)18-15/h1-8,19H,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H10ClNO3
Molecular Weight 299.71
AlogP 3.96
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 70.42
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Alcohol dehydrogenase class III inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials
Cystic Fibrosis 2 D003550 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1371587-51-7
ChEMBL CHEMBL3989910
DrugBank DB14775
FDA SRS O2Z8Q22ZE4
PharmGKB PA166163226
PubChem 56960912
SureChEMBL SCHEMBL1289569