OXOLAMINE


Synonyms	AF-438 FREE BASE AF-438 [AS CITRATE] Oksalamin Oxolamine SKF 9976 FREE BASE SKF 9976 [AS CITRATE] SKF-9976 FREE BASE
Status
Molecule Category	UNKNOWN
ATC	R05DB07
UNII	90BEA145GY
EPA CompTox	DTXSID5023403


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

Structure


InChI Key	IDCHQQSVJAAUQQ-UHFFFAOYSA-N
Smiles	CCN(CC)CCc1nc(-c2ccccc2)no1
InChI	InChI=1S/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H19N3O
Molecular Weight	245.33
AlogP	2.62
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	6.0
Polar Surface Area	42.16
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	18.0

Cross References

Resources	Reference
ChEBI	94607
ChEMBL	CHEMBL1620875
DrugBank	DB13216
DrugCentral	2023
FDA SRS	90BEA145GY
PubChem	13738
SureChEMBL	SCHEMBL893333
ZINC	ZINC000000001874

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).