CAVOSONSTAT


Synonyms	Cavosonstat N-91115 N91115
Status
Molecule Category	UNKNOWN
UNII	O2Z8Q22ZE4


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	BXSZILNGNMDGSL-UHFFFAOYSA-N
Smiles	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

Bioactivity

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


Protein: Alcohol dehydrogenase class III Description: Alcohol dehydrogenase class-3 Organism : Homo sapiens P11766 ENSG00000197894

Cross References

Resources	Reference
ChEMBL	CHEMBL3989910
DrugBank	DB14775
FDA SRS	O2Z8Q22ZE4
PharmGKB	PA166163226
PubChem	56960912
SureChEMBL	SCHEMBL1289569

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).