ALISPORIVIR

Search structure
Synonyms:
Status: Phase 3
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: VBP9099AA6

Structure
InChI Key OLROWHGDTNFZBH-XEMWPYQTSA-N
Smile C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(CC)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C63H113N11O12
Molecular Weight 1216.66
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

Action Mechanism of Action Reference
INHIBITOR Cyclophilin A inhibitor PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- - 2-11 0 -
Enzyme Transferase
16 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- 180-800 - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 110 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 18000 - - -
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
- 2500 - - -
Unclassified protein
16 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C 3 D006526 ClinicalTrials
Hepatitis C, Chronic 3 D019698 ClinicalTrials
Liver Diseases 2 D008107 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Renal Insufficiency, Chronic 1 D051436 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 254435-95-5
ChEBI 149837
ChEMBL CHEMBL1651956
DrugBank DB12139
FDA SRS VBP9099AA6
PubChem 11513676
SureChEMBL SCHEMBL6850787
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