TTD Drug ID: DNC009066

Drug Information
Name	NPC-567
Indication	Not Available			Experimental
Structure	Click to save drug structure in 3D MOL format Click to save drug structure in 2D MOL format
InChI	1S/C60H87N19O13/c61-39(20-10-24-68-58(62)63)49(83)73-40(21-11-25- 69-59(64)65)55(89)78-27-13-23-46(78)56(90)79-33-38(81)31-47(79)54 (88)71-32-48(82)72-42(28-35-14-4-1-5-15-35)50(84)77-45(34-80)53(8 7)76-44(30-37-18-8-3-9-19-37)52(86)75-43(29-36-16-6-2-7-17-36)51( 85)74-41(57(91)92)22-12-26-70-60(66)67/h1-9,14-19,38-47,80-81H,10 -13,20-34,61H2,(H,71,88)(H,72,82)(H,73,83)(H,74,85)(H,75,86)(H,76 ,87)(H,77,84)(H,91,92)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t38 -,39-,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1
InChIKey	RBIXVHPHNGXTCI-QJTYZATASA-N
Canonical SMILES	C1CC(N(C1)C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)N2CC(CC2C(=O)NCC(= O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C (=O)NC(CCCN=C(N)N)C(=O)O)O
Isomeric SMILES	C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)C(=O)N2C [C@@H](C[C@H]2C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N[C@ H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O) O)O
Target	Bradykinin B2 receptor			Inhibitor	[1]
Ref 1	J Med Chem. 2008 Nov 27;51(22):7094-8.cis-4-(Piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (A-987306), a new histamine H4R antagonist that blocks pain responses against carrageenan-induced hyperalgesia. To Reference

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