General Information of the Compound
| Compound ID |
CP0041783
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| Compound Name |
1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea
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| Synonyms |
1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea
3-(9,10-Didehydro-6-methylergolin-8alpha-yl)-1,1-diethylurea
Arolac (TN)
Cuvalit (TN)
Dipergon (TN)
Dopergin (TN)
Dopergine (TN)
Lisurida
Lisurida [INN-Spanish]
Lisuride
Lisuride (INN)
Lisuride Maleate (1:1)
Lisuride [INN]
Lisuridum
Lisuridum [INN-Latin]
Lysenyl Forte (TN)
Lysurid
Lysuride
Lysuride Hydrogen Maleate
Methylergol Carbamide
N'-((8alpha)-9,10-Didehydro-6-methylergolin-8-yl)-N,N-diethylurea
Prolacam (TN)
Revanil (TN)
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| Structure |
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| Formula |
C20H26N4O
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| Molecular Weight |
338.455
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| Canonical SMILES |
CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
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| InChI |
InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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| InChIKey |
BKRGVLQUQGGVSM-KBXCAEBGSA-N
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| CAS |
18016-80-3
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00957, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Clinical Information about the Compound