AS-602868

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Synonyms:	As-602868 SPC-839
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	Y1FZ8P93E0

Structure


InChI Key	GZGLPBNOIFLLRE-UHFFFAOYSA-N
Smile	COc1cccc2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c12
InChI	InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H14N4O3S
Molecular Weight	366.4
AlogP	3.01
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	84.42
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	26.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Inhibitor of nuclear factor kappa B kinase beta subunit inhibitor	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group	-	8-70	-	20	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family	-	618	-	-	-
Other cytosolic protein	-	8	-	-	-
Transcription factor	380-1600	8	-	-	-

Cross References

Resources	Reference
ChEMBL	CHEMBL129857
EPA CompTox	DTXSID00431335
FDA SRS	Y1FZ8P93E0
PubChem	9820526
SureChEMBL	SCHEMBL7859927
ZINC	ZINC000001489583

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