Structure

InChI Key BICRTLVBTLFLRD-JDCIFRKPSA-N
Smile C=C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(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/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27+/t41-,42+,43+,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C63H111N11O12
Molecular Weight 1214.65
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 Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lupus Nephritis 4 D008181 ClinicalTrials
Uveitis 3 D014605 ClinicalTrials
Uveitis, Intermediate 3 D015867 ClinicalTrials
Uveitis, Posterior 3 D015866 ClinicalTrials
Panuveitis 3 D015864 ClinicalTrials
Psoriasis 3 D011565 ClinicalTrials
Uveitis, Anterior 3 D014606 ClinicalTrials
Dry Eye Syndromes 2 D015352 ClinicalTrials
Kidney Diseases 2 D007674 ClinicalTrials
Glomerulosclerosis, Focal Segmental 2 D005923 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 515814-01-4
ChEMBL CHEMBL2218919
FDA SRS 2PN063X6B1
PubChem 6918486