Details of the Drug | DrugMAP

General Information of Drug (ID: DMV1RQX)

Drug Name	Tricyclic compound 10
Synonyms	PMID27568917-Compound-Figure7(d)
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			322.4
	Logarithm of the Partition Coefficient (xlogp)			3.6
	Rotatable Bond Count (rotbonds)			1
	Hydrogen Bond Donor Count (hbonddonor)			0
	Hydrogen Bond Acceptor Count (hbondacc)			3
Chemical Identifiers	Formula C20H19FN2O IUPAC Name 1-[3-(4-fluorophenyl)-8-methyl-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone Canonical SMILES CC1=CC2=C(CCC3C2=NN(C3C4=CC=C(C=C4)F)C(=O)C)C=C1 InChI InChI=1S/C20H19FN2O/c1-12-3-4-14-7-10-17-19(18(14)11-12)22-23(13(2)24)20(17)15-5-8-16(21)9-6-15/h3-6,8-9,11,17,20H,7,10H2,1-2H3 InChIKey KSFRHQFENHYLGG-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 66546795 TTD ID D0AY2N

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]

------------------------------------------------------------------------------------

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.