Therapeutic Targets Database
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TTD Drug ID: DCL001033

Drug Information
NameVasoactive intestinal peptide
CompanyMondo Biotech
IndicationCOPD, Pulmonary arterial hypertension
[ICD9: 401, 416.0, 490-492, 494-496   ICD10: I10, I11, I12, I13, I15, I27.0, I27.2, J40-J44, J47]
Phase II/III    
Structure

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InChI1S/C147H237N43O43S/c1-18-75(12)115(142(229)180-96(56-72(6)7)131(2
18)183-104(145(232)233)63-110(155)200)188-139(226)106(68-192)185-
134(221)101(62-109(154)199)177-130(217)95(55-71(4)5)174-132(219)9
7(58-81-37-41-84(195)42-38-81)175-125(212)88(33-23-26-49-149)167-
123(210)89(34-24-27-50-150)171-140(227)113(73(8)9)186-118(205)76(
13)164-121(208)93(47-53-234-17)170-127(214)92(45-46-107(152)197)1
69-122(209)87(32-22-25-48-148)166-124(211)90(35-28-51-161-146(156
)157)168-129(216)94(54-70(2)3)173-126(213)91(36-29-52-162-147(158
)159)172-143(230)116(78(15)193)189-136(223)98(59-82-39-43-85(196)
44-40-82)176-133(220)100(61-108(153)198)178-135(222)103(65-112(20
3)204)182-144(231)117(79(16)194)190-137(224)99(57-80-30-20-19-21-
31-80)181-141(228)114(74(10)11)187-119(206)77(14)165-128(215)102(
64-111(201)202)179-138(225)105(67-191)184-120(207)86(151)60-83-66
-160-69-163-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,191-196
H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,197)(H2,153
,198)(H2,154,199)(H2,155,200)(H,160,163)(H,164,208)(H,165,215)(H,
166,211)(H,167,210)(H,168,216)(H,169,209)(H,170,214)(H,171,227)(H
,172,230)(H,173,213)(H,174,219)(H,175,212)(H,176,220)(H,177,217)(
H,178,222)(H,179,225)(H,180,229)(H,181,228)(H,182,231)(H,183,218)
(H,184,207)(H,185,221)(H,186,205)(H,187,206)(H,188,226)(H,189,223
)(H,190,224)(H,201,202)(H,203,204)(H,232,233)(H4,156,157,161)(H4,
158,159,162)
InChIKeyVBUWHHLIZKOSMS-UHFFFAOYSA-N
Canonical SMILESCCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)
N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC
(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)
C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)O)NC(=O)C
(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C
(CC3=CC=CC=C3)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C
(CC4=CNC=N4)N    
CAS NumberCAS 40077-57-4
FormulaC147H237N43O43S
PubChem Compound IDCID 16129679.
ClinicalTrials.govNCT00464932;
TargetVasoactive intestinal polypeptide receptorAntagonist[1]
Ref 1Emerging treatments for pulmonary arterial hypertension. Expert Opin Emerg Drugs. 2006 Nov;11(4):609-19. To Reference



 

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