Molecule

Axinohydantoin; Debromo, (Z)-isomer

AlkaPlorer ID: AK289861

Synonym: Spongiacidin C, (Z)-Debromoaxinohydantoin

IUPAC Name: (5Z)-5-(8-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-4-ylidene)imidazolidine-2,4-dione

SMILES: OC1=N/C(=C2/CCN=C(O)C3=C2C=CN3)C(O)=N1

InChI: InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-

InChIKey: MOYLWFAZPQYOGQ-VURMDHGXSA-N

PubChem CID: 10634145

CAS: 193202-57-2

LOTUS: LTS0128476

NPASS: NPC212742

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Hymeniacidon	Halichondriidae	Suberitida	Demospongiae	Porifera	Metazoa	Eukaryota
None	Axinella	Axinellidae	Axinellida	Demospongiae	Porifera	Metazoa	Eukaryota
Stylissa massa	Stylissa	Axinellidae	Axinellida	Demospongiae	Porifera	Metazoa	Eukaryota
None	Hymeniacidon	Halichondriidae	Suberitida	Demospongiae	Porifera	Metazoa	Eukaryota

Molecule Weight: 246.22600000000003

TPSA？: 113.56

MolLogP？: 1.3182

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Cyclin-dependent kinase 4	IC50	50.0	ug.mL-1	10.1021/np970565h
Homo sapiens	HCT-116	GI	nan	None	10.1016/j.bmcl.2013.04.066
Homo sapiens	Protein kinase C (PKC)	IC50	22000.0	nM	10.1016/j.ejmech.2021.113445
Homo sapiens	Receptor protein-tyrosine kinase erbB-2	IC50	50.0	ug.mL-1	10.1021/np970565h
Homo sapiens	Sentrin-specific protease 1	IC50	31600.0	nM	10.1016/j.bmcl.2013.04.066
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 2	IC50	31600.0	nM	10.1016/j.bmcl.2013.04.066
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 21	IC50	16600.0	nM	10.1016/j.bmcl.2013.04.066
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 7	IC50	3800.0	nM	10.1016/j.bmcl.2013.04.066
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 8	IC50	31600.0	nM	10.1016/j.bmcl.2013.04.066