Details of the Drug | DrugMAP

General Information of Drug (ID: DMF5E6U)

Drug Name	Tricyclic compound 9
Synonyms	PMID27568917-Compound-Figure7(c)
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			317.25
	Logarithm of the Partition Coefficient (xlogp)			3.1
	Rotatable Bond Count (rotbonds)			3
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			7
Chemical Identifiers	Formula C15H11NO7 IUPAC Name 4-hydroxy-3-[(E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoyl]-6-methylpyran-2-one Canonical SMILES CC1=CC(=C(C(=O)O1)C(=O)/C=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])O InChI InChI=1S/C15H11NO7/c1-8-6-13(19)14(15(20)23-8)12(18)5-3-9-2-4-11(17)10(7-9)16(21)22/h2-7,17,19H,1H3/b5-3+ InChIKey QYYBACCETRXSEX-HWKANZROSA-N
Cross-matching ID	PubChem CID 135444572 TTD ID D0M7WS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Receptor-interacting protein 1 (RIPK1)	TTAIQSN	RIPK1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Necroptosis inhibitors as therapeutic targets in inflammation mediated disorders - a review of the current literature and patents.Expert Opin Ther Pat. 2016 Nov;26(11):1239-1256.