CYCLOSPORIN D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C63H113N11O12
Molecular Weight	1216.6378
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C

InChI

InChIKey=ZNVBEWJRWHNZMK-SYOLRUPNSA-N

InChI=1S/C63H113N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-53,76H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+,53-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C63H113N11O12
Molecular Weight	1216.6378
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Ca2+/calmodulin dependent EF-2 phosphorylation 1 Target ID: Ca2+/calmodulin dependent EF-2 phosphorylation Sources: https://www.ncbi.nlm.nih.gov/pubmed/3342035	Inhibitor 8297
P-glycoprotein 1 54 Target ID: CHEMBL4302 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12361387	Inhibitor 8297		2.0 µM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:07:46 UTC 2023` Edited by `admin` on `Sat Dec 16 08:07:46 UTC 2023`
Record UNII	8ZD3I5M2HF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYCLOSPORIN D

Common Name

English

CYCLOSPORIN A, 7-L-VALINE-

Common Name

English

VAL2-CYCLOSPORINE

Common Name

English

CYCLO(L-ALANYL-D-ALANYL-N-METHYL-L-LEUCYL-N-METHYL-L-LEUCYL-N-METHYL-L-VALYL-(3R,4R,6E)-6,7-DIDEHYDRO-3-HYDROXY-N,4-DIMETHYL-L-2-AMINOOCTANOYL-L-VALYL-N-METHYLGLYCYL-N-METHYL-L-LEUCYL-L-VALYL-N-METHYL-L-LEUCYL)

Common Name

English

CYCLOSPORIN D [MI]

Common Name

English

CYCLOSPORINE D

Common Name

English

Code System Code Type Description

CAS

63775-96-2