Drug Information

Drug General Information
Drug ID
D0T4TN
Former ID
DCL001033
Drug Name
Vasoactive intestinal peptide
Drug Type
Small molecular drug
Indication Chronic obstructive pulmonary disease; Pulmonary arterial hypertension [ICD9: 401, 416.0, 490-492, 494-496; ICD10:I10-I16, I27.0, I27.2, J40-J44, J47] Phase 2 [522017]
Company
Mondo Biotech
Structure
Download
2D MOL

3D MOL
Formula
C147H237N43O43S
Canonical SMILES
CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(C<br />O)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)<br />O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(C)N<br />C(=O)C(CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCN<br />C(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)O)<br />NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O<br />)NC(=O)C(C(C)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)NC(=O<br />)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC4=CNC=N4)N
InChI
1S/C147H237N43O43S/c1-18-75(12)115(142(229)180-96(56-72(6)7)131(218)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)97(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)169-122(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(203)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/h19-21,30-31,37-44,66,69-79,86-106,113-117,191-196H,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)
InChIKey
VBUWHHLIZKOSMS-UHFFFAOYSA-N
CAS Number
CAS 40077-57-4
PubChem Compound ID
16129679
PubChem Substance ID
39835196, 50064740, 135000393, 135651911, 179322725, 229093110
Target and Pathway
Target(s) Vasoactive intestinal polypeptide receptor 1 Target Info Antagonist [536294]
KEGG Pathway Neuroactive ligand-receptor interaction
NetPath Pathway TCR Signaling Pathway
Pathway Interaction Database Glucocorticoid receptor regulatory network
Reactome G alpha (s) signalling events
WikiPathways SIDS Susceptibility Pathways
GPCRs, Class B Secretin-like
GPCR ligand binding
GPCR downstream signaling
References
Ref 522017ClinicalTrials.gov (NCT00464932) Vasoactive Intestinal Peptide in COPD. U.S. National Institutes of Health.
Ref 536294Emerging treatments for pulmonary arterial hypertension. Expert Opin Emerg Drugs. 2006 Nov;11(4):609-19.

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