Drug Information

Drug General Information
Drug ID
D01YRT
Former ID
DNC000562
Drug Name
Di-imidazole lexitropsin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [538053]
Formula
C14H20N9O3+
Canonical SMILES
CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCC(=[NH2+])N)C)NC=O
InChI
1S/C14H19N9O3/c1-22-5-9(18-7-24)19-12(22)14(26)21-10-6-23(2)11(20-10)13(25)17-4-3-8(15)16/h5-7H,3-4H2,1-2H3,(H3,15,16)(H,17,25)(H,18,24)(H,21,26)/p+1
InChIKey
WISSDOJERIUENW-UHFFFAOYSA-O
CAS Number
CAS 1438-30-8
PubChem Compound ID
4630069
PubChem Substance ID
6822401, 7887048, 36937849, 50530794, 113127453
Target and Pathway
Target(s) DNA Target Info Binder (minor groove binder) [538053]
References
Ref 538053Defining GC-specificity in the minor groove: side-by-side binding of the di-imidazole lexitropsin to C-A-T-G-G-C-C-A-T-G. Structure. 1997 Aug 15;5(8):1033-46.
Ref 538053Defining GC-specificity in the minor groove: side-by-side binding of the di-imidazole lexitropsin to C-A-T-G-G-C-C-A-T-G. Structure. 1997 Aug 15;5(8):1033-46.

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