S-3304

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Synonyms:	S 3304
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	BK459F050X

Structure


InChI Key	YWCLDDLVLSQGSZ-JOCHJYFZSA-N
Smile	Cc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)s2)cc1
InChI	InChI=1S/C24H20N2O4S2/c1-16-6-8-17(9-7-16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-5-3-2-4-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H20N2O4S2
Molecular Weight	464.57
AlogP	3.91
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	99.26
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	32.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily	-	10-23	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Neoplasms	1	D009369	ClinicalTrials
Carcinoma, Non-Small-Cell Lung	1	D002289	ClinicalTrials

Cross References

Resources	Reference
CAS NUMBER	203640-27-1
ChEMBL	CHEMBL297792
DrugBank	DB12149
EPA CompTox	DTXSID20174292
FDA SRS	BK459F050X
PubChem	10718956
SureChEMBL	SCHEMBL2380826

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