General Information of the Compound
| Compound ID |
CP0845072
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| Compound Name |
(cyclo[(6-bromo-8-entryptophan)arginine])
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| Synonyms |
(-)-Barettine
104311-70-8
606933-69-1
AC1O5Z3U
BARETTIN
GBB 1-Z
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| Structure |
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| Formula |
C17H19BrN6O2
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| Molecular Weight |
419.283
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| Canonical SMILES |
N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)NC1=O
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| InChI |
InChI=1S/C17H19BrN6O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20/h3-4,6-8,12,22H,1-2,5H2,(H,23,26)(H,24,25)(H4,19,20,21)/b14-6-/t12-/m0/s1
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| InChIKey |
YYFNNPXWRXQUPR-JVXNRYDGSA-N
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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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT01307, 5-hydroxytryptamine receptor 4
Protein ID: PT01513, 5-hydroxytryptamine receptor 5A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Clinical Information about the Compound