SUBSTANCE P

Search structure
Synonyms:
Status: Approved
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: 675VGV5J1D

Structure
InChI Key ADNPLDHMAVUMIW-CUZNLEPHSA-N
Smile CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C63H98N18O13S
Molecular Weight 1347.66
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 8.375
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 0.58-37.91
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) GRP-related receptor
66 - - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurokinin receptor
0.05754-1 0.12-1.7 - 102 99
Membrane receptor Family A G protein-coupled receptor
0.05754-1 0.12-1.7 - 102 99

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Allergic, Seasonal 1 D006255 ClinicalTrials
Diabetes Mellitus, Type 1 1 D003922 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEBI 80308
ChEMBL CHEMBL235363
FDA SRS 675VGV5J1D
Guide to Pharmacology 2098
PubChem 36511
SureChEMBL SCHEMBL1116347
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