Drug Information

General Information
Drug ID
DR01403
Drug Name
Substance P
Synonyms
Substance P; 33507-63-0; Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2; CCRIS 7229; UNII-675VGV5J1D; EINECS 251-545-8; CHEMBL235363; 675VGV5J1D; 12769-48-1; P substance; Neurokinin P; Substanz-P; C63H98N18O13S; Substance P analogue; AC1Q5IQE; AC1L1VX3; tachykinin substance P (SP); SCHEMBL1116347; GTPL2098; ArgProLysProGlnGlnPhePheGlyLeuMet; MolPort-023-276-010; ADNPLDHMAVUMIW-CUZNLEPHSA-N; 2053AH; BDBM50001450; AKOS024456424; NCGC00167123-01; 11035-08-8; LS-147256; Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-amine
Drug Type
Small molecular drug
Indication Type 1 diabetes [ICD11:5A10] Phase 1 [1]
Structure
3D MOL 2D MOL
Formula
C63H98N18O13S
Canonical SMILES
CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N
InChI
InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChIKey
ADNPLDHMAVUMIW-CUZNLEPHSA-N
CAS Number
CAS 33507-63-0
Pharmaceutical Properties Molecular Weight 1347.6 Topological Polar Surface Area 544
Heavy Atom Count 95 Rotatable Bond Count 42
Hydrogen Bond Donor Count 15 Hydrogen Bond Acceptor Count 17
XLogP
-2.3
PubChem CID
36511
PubChem SID
650627 ,14890642 ,34677952 ,50048187 ,50112420 ,77820088 ,103538528 ,103915915 ,104324228 ,117568894 ,134346412 ,134999114 ,135651888 ,137239514 ,137275539 ,162223926 ,227357862 ,241182181 ,241375257 ,249617258 ,252469376
TTD Drug ID
D0J8SU
DT(s) Transporting This Drug P-GP Transporter Info P-glycoprotein 1 Substrate [2]
References
1 ClinicalTrials.gov (NCT02820558) Neuropeptide Therapy of Recent Onset Type 1 Diabetes
2 Transport of somatostatin and substance P by human P-glycoprotein. FEBS Lett. 2004 Sep 10;574(1-3):55-61.

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