CHEBI:149837 - Alisporivir

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Alisporivir
ChEBI ID CHEBI:149837
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C63H113N11O12
Net Charge 0
Average Mass 1216.662
Monoisotopic Mass 1215.85702
InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1
InChIKey OLROWHGDTNFZBH-XEMWPYQTSA-N
SMILES [C@H]1(C(=O)N([C@H](C(=O)N[C@@H](C(C)C)C(=O)N([C@H](C(N[C@H](C(N[C@@H](C(N(C)[C@H](C(=O)N([C@H](C(N([C@@H](C(C)C)C(N(C)[C@](C(N[C@H](C(N1C)=O)CC)=O)([C@@H]([C@H](C)C/C=C/C)O)[H])=O)C)=O)CC(C)C)C)CC(C)C)=O)C)=O)C)=O)CC(C)C)C)C(C)C)CC)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Alisporivir (CHEBI:149837) has role anticoronaviral agent (CHEBI:149553)
Alisporivir (CHEBI:149837) is a homodetic cyclic peptide (CHEBI:24613)
Synonym Source
Alisporivir [USAN:INN] ChEMBL
Registry Number Type Source
254435-95-5 CAS Registry Number ChemIDplus
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL