Chelist Moleculee
JRC CODE:JRC-000048
cas:59865-13-3
einecs:611-907-1
smiles:[H][C@]1(NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)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)C1=O)C(C)C
name:Cyclosporin A
MW:1202.6112
formula:C62H111N11O12
InChi:
InChiKey:
SMARTS:
Other names
Cyclosporine
Cyclosporin A
1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.
1: PN: US6686454 SEQID: 1 claimed protein
7: PN: WO0002548 PAGE: 30 claimed protein
Abrammune
Antibiotic S 7481F1
Arpimune ME
CICPORAL
Cicloral
Cicloral (antibiotic)
Ciclosporin
Ciclosporina Germed
Cipol N
Consupren
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-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl]
Cyclokat
Cyclosporin
Cyclosporine
Cyclosporine A
Debio088
Equoral
Gengraf
Imusporin
NSC 290193
Neoplanta
Neoral
OL 27-400
Optimmune
Papilock Mini
Ramihyphin A
Restasis
S-Neoral
SDZ-OXL 400
Sandimmun
Sandimmun Neoral
Sandimmun Optoral
Sandimmune
Sandimmune Neoral
Sang-35
SangCyA
Sigmasporin Microoral
Zinograf ME

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

ACuteTox (124): Reference chemicals used in the FP6 Integrated Project ACuteTox (EU Research Projects)
TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
JRC HEPATOTOX (111): Hepatotox list (JRC Projects)
Japanese TGx project (132): TG-GATEs (Genomics-Assisted Toxicity Evaluation System developed by the Toxicogenomics Project in Japan) (International Research Projects)
PREDICT-IV (29): Reference chemicals used in the PREDICT-IV FP 7IP to evaluate drug-induced toxicity using non animal-based approach integrating toxicodynamics and biokinetics (EU Research Projects)
ESNATS (56): Compound selection for in vitro modeling of developmental neurotoxicity (EU Research Projects)