LYPRESSIN

Search structure
Trade Names:
Synonyms:
L-8
Status: Approved (1982)
Entry Type: Protein
Molecule Category: UNKNOWN
ATC: H01BA03
UNII: 7CZF3L922Y

Structure
InChI Key BJFIDCADFRDPIO-DZCXQCEKSA-N
Smile NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChI
InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C46H65N13O12S2
Molecular Weight 1056.24
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

Action Mechanism of Action Reference
AGONIST Vasopressin receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 3.92-7.312
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -17.07--4.98

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 50-57-7
ChEBI 94802
ChEMBL CHEMBL1200690
DrugBank DB14642
DrugCentral 2959
EPA CompTox DTXSID8048575
FDA SRS 7CZF3L922Y
Guide to Pharmacology 2172
PubChem 644076
SureChEMBL SCHEMBL33287
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