CYCLOSPORIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C62H111N11O13
Molecular Weight	1218.6106
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(NC(=O)[C@]([H])([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)C1=O)C(C)C)[C@@H](C)O

InChI

InChIKey=JTOKYIBTLUQVQV-QRVTZXGZSA-N

InChI=1S/C62H111N11O13/c1-25-26-27-39(14)52(76)51-56(80)66-49(42(17)74)60(84)67(18)32-47(75)68(19)43(28-33(2)3)55(79)65-48(37(10)11)61(85)69(20)44(29-34(4)5)54(78)63-40(15)53(77)64-41(16)57(81)70(21)45(30-35(6)7)58(82)71(22)46(31-36(8)9)59(83)72(23)50(38(12)13)62(86)73(51)24/h25-26,33-46,48-52,74,76H,27-32H2,1-24H3,(H,63,78)(H,64,77)(H,65,79)(H,66,80)/b26-25+/t39-,40+,41-,42-,43+,44+,45+,46+,48+,49+,50+,51+,52-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C62H111N11O13
Molecular Weight	1218.6106
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Cyclophilins 1 Target ID: Cyclophilins Sources: https://www.agscientific.com/antibiotics/antibiotics-a-z-list/cyclosporin-c.html	Binding Agent 1064
Phosphoprotein phosphatases 1 Target ID: Phosphoprotein phosphatases Sources: https://www.biosynth.com/antibiotics/products/Q-100690.html	Inhibitor 8297
P-glycoprotein 1 54 Target ID: CHEMBL4302 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12361387	Inhibitor 8297	5.1 µM [IC50]

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:18:19 UTC 2023` Edited by `admin` on `Sat Dec 16 08:18:19 UTC 2023`
Record UNII	6S744L5508
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CYCLOSPORIN C

Common Name

English

CYCLOSPORIN A, 7-L-THREONINE-

Common Name

English

THR2-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-THREONYL-N-METHYLGLYCYL-N-METHYL-L-LEUCYL-L-VALYL-N-METHYL-L-LEUCYL)

Common Name

English

CYCLOSPORIN C [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m4020