9-ING-41

Search structure


Synonyms:	9-ing-41 Elraglusib
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	ND1SOF0DLU

Structure


InChI Key	FARXPFGGGGLENU-UHFFFAOYSA-N
Smile	Cn1cc(C2=C(c3coc4ccc(F)cc34)C(=O)NC2=O)c2cc3c(cc21)OCO3
InChI	InChI=1S/C22H13FN2O5/c1-25-7-13(11-5-17-18(6-15(11)25)30-9-29-17)19-20(22(27)24-21(19)26)14-8-28-16-3-2-10(23)4-12(14)16/h2-8H,9H2,1H3,(H,24,26,27)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C22H13FN2O5
Molecular Weight	404.35
AlogP	3.36
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	82.7
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	30.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Glycogen synthase kinase-3 beta inhibitor	PubMed ClinicalTrials PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family	-	710	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Primary Myelofibrosis	2	D055728	ClinicalTrials
Neoplasm Metastasis	1	D009362	ClinicalTrials
Kidney Neoplasms	1	D007680	ClinicalTrials
Lung Neoplasms	1	D008175	ClinicalTrials
Breast Neoplasms	1	D001943	ClinicalTrials
Glioma	1	D005910	ClinicalTrials
Sarcoma	1	D012509	ClinicalTrials
Bone Neoplasms	1	D001859	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL483465
DrugBank	DB16047
FDA SRS	ND1SOF0DLU
SureChEMBL	SCHEMBL3152351
ZINC	ZINC000040413912

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