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Compound InformationSONAR Target prediction
Name:

Cyclobenzaprine hydrochloride

Unique Identifier:LOPAC 00773
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20ClH22N
Molecular Weight:289.673 g/mol
X log p:24.082  (online calculus)
Lipinksi Failures1
TPSA3.24
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:3
Canonical Smiles:Cl.CN(C)CCC=C1c2ccccc2C=Cc2ccccc21
Class:Serotonin
Action:Antagonist
Selectivity:5-HT2
Generic_name:Cyclobenzaprine
Chemical_iupac_name:3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine
Drug_type:Approved Drug
Pharmgkb_id:PA449160
Kegg_compound_id:C06931
Drugbank_id:APRD00213
Melting_point:216-218 oC (HCl salt)
H2o_solubility:Freely Soluble
Logp:4.974
Isoelectric_point:8.47
Cas_registry_number:303-53-7
Drug_category:Tranquilizing Agents; Muscle Relaxants; Antidepressive Agents, Tricyclic; Skeletal
Muscle Relaxants; ATC:M03BX08
Indication:For use as an adjunct to rest and physical therapy for relief of muscle spasm
associated with acute, painful musculoskeletal conditions.
Pharmacology:Cyclobenzaprine, closely related to the antidepressant amitriptyline, is used as a
skeletal muscle relaxant to reduce pain and tenderness and improve mobility. Unlike
dantrolene, cyclobenzaprine cannot be used to treat muscle spasm secondary to
cerebral or spinal cord disease.
Mechanism_of_action:Like other tricyclic antidepressants, cyclobenzaprine exhibits anticholinergic
activity, potentiation of norepinephrine, and antagonism of reserpine.
Cyclobenzaprine does not directly act on the neuromuscular junction or the muscle
but relieves muscle spasms through a central action, possibly at the brain stem
level. Cyclobenzaprine binds to the serotonin receptor and is considered a 5-HT2
receptor antagonist that reduces muscle tone by decreasing the activity of
descending serotonergic neurons.
Organisms_affected:Humans and other mammals

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 Next >> [24]
Species: 4932
Condition: TEP1
Replicates: 2
Raw OD Value: r im 0.6283±0.0574878
Normalized OD Score: sc h 1.0367±0.0532582
Z-Score: 1.2936±1.89143
p-Value: 0.48678
Z-Factor: -5.28242
Fitness Defect: 0.7199
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-05-17 YYYY-MM-DD
Plate CH Control (+):0.044950000000000004±0.00877
Plate DMSO Control (-):0.5674250000000001±0.04389
Plate Z-Factor:0.7544
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DBLink | Rows returned: 5
2895
9917
9918
22576
5351883

internal high similarity DBLink | Rows returned: 1
SPE01503207 1.0000

nonactive | Cluster 554 | Additional Members: 4 | Rows returned: 3
Prest807 0.386363636363636
SPE01503207 0
Prest790 0

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