Drug Information

Drug General Information
Drug ID
D0DW4J
Former ID
DNC000550
Drug Name
Dibenzo-p-dioxin-2-carboxylic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [538015]
Structure
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2D MOL

3D MOL
Formula
C45H60N10O14
Canonical SMILES
CC(C)CC(C(=O)O)NC(=O)C1CNC(=O)CC(C(=O)NC(C(=O)NC(C(=O)N<br />1)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)NC(=O)C(CC(=O)NC5C(C(<br />C(C(O5)CO)O)O)NC(=O)C)N
InChI
1S/C45H60N10O14/c1-21(2)13-31(45(67)68)53-43(66)32-19-48-34(58)17-30(50-39(62)26(46)16-35(59)55-44-36(49-22(3)57)38(61)37(60)33(20-56)69-44)42(65)52-29(15-24-18-47-27-12-8-7-11-25(24)27)41(64)51-28(40(63)54-32)14-23-9-5-4-6-10-23/h4-12,18,21,26,28-33,36-38,44,47,56,60-61H,13-17,19-20,46H2,1-3H3,(H,48,58)(H,49,57)(H,50,62)(H,51,64)(H,52,65)(H,53,66)(H,54,63)(H,55,59)(H,67,68)/t26-,28-,29-,30-,31-,32-,33+,36+,37+,38+,44+/m0/s1
InChIKey
NPSVXOVMLVOMDD-SXRVEDALSA-N
CAS Number
CAS 183747-35-5
PubChem Compound ID
3086682
PubChem Substance ID
36416410, 49956879, 53352743, 53787554, 57356035, 111695391, 134339346, 134339951, 135652323, 137267757, 227838634
Target and Pathway
Target(s) DNA topoisomerase I Target Info Binder [538015]
WikiPathways Integrated Pancreatic Cancer Pathway
References
Ref 538015Comparison of responses of DNA topoisomerase I from Candida albicans and human cells to four new agents which stimulate topoisomerase-dependent DNA nicking. FEMS Microbiol Lett. 1996 May 1;138(2-3):105-11.
Ref 538015Comparison of responses of DNA topoisomerase I from Candida albicans and human cells to four new agents which stimulate topoisomerase-dependent DNA nicking. FEMS Microbiol Lett. 1996 May 1;138(2-3):105-11.

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