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Compound InformationSONAR Target prediction
Name:

CYCLOSPORINE

Unique Identifier:SPE01502202
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C62H111N11O12
Molecular Weight:1090.73 g/mol
X log p:4.12  (online calculus)
Lipinksi Failures3
TPSA
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptors Count:12
Rotatable Bond Count:12
Canonical Smiles:CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(
=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)
C)C(=O)N(C)C(C(C)C)C(=O)N1(C)
Class:macrolide
Source:Tolypocladium inflatum
Reference:Helv Chim Acta 60: 1568 (1977)
Therapeutics:immunosuppressant
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

Found: 28 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 Next >> [28]
Species: 4932
Condition: GAS1
Replicates: 2
Raw OD Value: r im 0.1231±0.00707107
Normalized OD Score: sc h 0.2925±0.0326526
Z-Score: -7.0746±1.06144
p-Value: 0.000000000127376
Z-Factor: 0.403269
Fitness Defect: 22.7839
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2006-01-20 YYYY-MM-DD
Plate CH Control (+):0.046275±0.00137
Plate DMSO Control (-):0.450075±0.04536
Plate Z-Factor:0.5636
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DBLink | Rows returned: 42<< Back 1 2 3 4 5 6 7 Next >> 
6450331 (3S,6S,9S,12S,15R,18S,21S,24S,30S,33R)-33-[(E)-1-hydroxy-2-methyl-hex-4-enyl]-1,4,7,10,12,15,19,25,28,30
-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-dipropan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecaza
cyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
6473876 (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-[(2S)-butan-2-yl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-he
x-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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
6475296 (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-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-30-propyl-1,4,7,10,13,16,19,22,25,2
8,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
6475297 (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-12-(hydroxymethyl)-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-en
yl]-1,4,7,10,15,19,25,28-octamethyl-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
6475298 (3S,6S,9S,12R,15S,18S,21S,24S,30S)-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-und
ecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
6475299 (3S,6S,9S,12R,15S,18S,21S,24S,27R,30S)-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)-3,21,30-tripropan-2-yl-1,4,7,10,13,16,19,22,25,28,3
1-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

internal high similarity DBLink | Rows returned: 1
LOPAC 00423 1.0000

active | Cluster 1190 | Additional Members: 4 | Rows returned: 0

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