Therapeutic Targets Database
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TTD Drug ID: DNC000271

Drug Information
NameB-9858
IndicationNot AvailableExperimental    
Structure

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InChI1S/C64H95N15O13/c65-23-9-7-18-44(67)55(83)72-45(19-8-10-24-66)56(
84)73-46(20-11-25-70-64(68)69)60(88)77-26-12-22-49(77)61(89)78-34
-43(81)32-50(78)58(86)71-33-52(82)75-53(41-27-36-13-1-2-14-37(36)
28-41)59(87)74-47(35-80)57(85)76-54(42-29-38-15-3-4-16-39(38)30-4
2)62(90)79-48-21-6-5-17-40(48)31-51(79)63(91)92/h1-4,13-16,40-51,
53-54,80-81H,5-12,17-35,65-67H2,(H,71,86)(H,72,83)(H,73,84)(H,74,
87)(H,75,82)(H,76,85)(H,91,92)(H4,68,69,70)/t40-,43?,44-,45-,46-,
47-,48-,49-,50-,51?,53-,54+/m0/s1
InChIKeyAGNBGVFSXGZENP-PKKGAIQRSA-N
Canonical SMILESC1CCC2C(C1)CC(N2C(=O)C(C3CC4=CC=CC=C4C3)NC(=O)C(CO)NC(=O)C(C5CC6=CC=CC=
C6C5)NC(=O)CNC(=O)C7CC(CN7C(=O)C8CCCN8C(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC
(=O)C(CCCCN)N)O)C(=O)O    
Isomeric SMILESC1CC[C@H]2[C@@H](C1)CC(N2C(=O)[C@@H](C3CC4=CC=CC=C4C3)NC(=O)[C@H](CO)NC
(=O)[C@H](C5CC6=CC=CC=C6C5)NC(=O)CNC(=O)[C@@H]7CC(CN7C(=O)[C@@H]8CCCN8C
(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O)C(=O)O
PubChem Compound IDCID 44354213.
PubChem Substance IDSID 103368033.
TargetKinin B1 receptorAntagonist[1]
Ref 1Non-competitive pharmacological antagonism at the rabbit B(1) receptor. Br J Pharmacol. 2000 Nov;131(5):885-92. To Reference



 

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