SARALASIN

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: H2AFV2HE66

Structure
InChI Key PFGWGEPQIUAZME-NXSMLHPHSA-N
Smile CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C
InChI
InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H65N13O10
Molecular Weight 912.06
AlogP -2.3
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 13.0
Number of Rotational Bond 25.0
Polar Surface Area 355.05
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 65.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Angiotensin receptor
- 0-1 0-0 0-0 -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135894
ChEMBL CHEMBL938
DrugBank DB06763
DrugCentral 3542
EPA CompTox DTXSID2046549
FDA SRS H2AFV2HE66
PubChem 6324663
SureChEMBL SCHEMBL23
ZINC ZINC000169289386
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