Compound Information | SONAR Target prediction | Name: | Ciclosporin | Unique Identifier: | LOPAC 00423 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C62H111N11O12 | Molecular Weight: | 1090.73 g/mol | X log p: | (online calculus) | Lipinksi Failures | | TPSA | | Hydrogen Bond Donor Count: | | Hydrogen Bond Acceptors Count: | | Rotatable Bond Count: | | Canonical Smiles: | CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O) C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C )C)N(C)C(=O)CN(C)C1=O)C(C)C | Class: | Phosphorylation | Action: | Inhibitor | Selectivity: | Calcineurin phosphatase | Generic_name: | Cyclosporine | Chemical_iupac_name: | Cyclosporine | Drug_type: | Approved Drug | Pharmgkb_id: | PA449167 | Drugbank_id: | BIOD00003 | Logp: | 4.293 | Cas_registry_number: | 59865-13-3 | Drug_category: | Immunmodulatory Agents; Immunosupressants | Indication: | For treatment of transplant rejection, rheumatoid arthritis, severe psoriasis | Pharmacology: | Used in immunosuppression for prophylactic treatment of organ transplants, cyclosporine exerts specific and reversible inhibition of immunocompetent lymphocytes in the G0-or G1-phase of the cell cycle. T-lymphocytes are preferentially inhibited. The T1-helper cell is the main target, although the T1-suppressor cell may also be suppressed. Sandimmune (cyclosporine) also inhibits lymphokine production and release including interleukin-2. | Mechanism_of_action: | Cyclosporine binds to cyclophillin. The complex then inhibits calcineurin which is normally responsible for activating transcription of interleukin 2. Cyclosporine also inhibits lymphokine production and ineterluekin relase. | Organisms_affected: | Humans and other mammals |
Species: |
4932 |
Condition: |
KRE1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6928±0.0178898 |
Normalized OD Score: sc h |
1.0020±0.0088968 |
Z-Score: |
0.0900±0.383063 |
p-Value: |
0.787334 |
Z-Factor: |
-9.30471 |
Fitness Defect: |
0.2391 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 4|A3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.80 Celcius | Date: | 2005-11-22 YYYY-MM-DD | Plate CH Control (+): | 0.039775000000000005±0.00261 | Plate DMSO Control (-): | 0.6763250000000001±0.02277 | Plate Z-Factor: | 0.9484 |
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6436250 |
(3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-1,4,7,10,12,15,19,25,28- nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tripropan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undec azacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
6436251 |
(3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(E,1R)-1-hydroxy-2,2-dimethyl-hex-4-enyl]-1,4,7,10,12,15 ,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-dipropan-2-yl-1,4,7,10,13,16,19,22,25,28,31 -undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
6436407 |
30-ethyl-33-[(E)-1-hydroxy-2-methyl-hex-4-enyl]-1,4,7,10,12,15,19,28-octamethyl-6,9,18,24-tetrakis(2-met hylpropyl)-3,21-dipropan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,2 0,23,26,29,32-undecone |
6438160 |
(3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-(1-hydroxyethyl)-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-1,4, 7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-dipropan-2-yl-1,4,7,10,13,16,19,2 2,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
6440684 |
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-1,4,7,10,12 ,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tripropan-2-yl-1,4,7,10,13,16,19,22,25,28,31 -undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
6443884 |
(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-1,4,7,10,12 ,15,19,25,27,28-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-dipropan-2-yl-1,4,7,10,13,16,19,22,25 ,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 1190 | Additional Members: 4 | Rows returned: 1 | |
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