General Information of the Compound
| Compound ID |
CP0384353
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| Compound Name |
(11S,14S,17S,20R,23S)-20-benzyl-17-[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-2,13,16,19,22-pentaoxo-1,6,12,15,18,21-hexazabicyclo[21.3.0]hexacosane-11-carboxamide
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| Synonyms |
CHEMBL398664
C[CO-(CH2)3-CO-Pro-D-Phe-Arg-Trp-Lys]-NH2
c[CO-(CH2)3-CO-Pro-D-Phe-Arg-Trp-Lys]-NH2
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| Structure |
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| Formula |
C41H57N11O6
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| Molecular Weight |
799.978
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| Canonical SMILES |
NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
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| InChI |
InChI=1S/C41H57N11O6/c42-36(54)30-15-6-7-19-45-20-9-18-35(53)52-22-10-17-34(52)40(58)51-32(23-26-11-2-1-3-12-26)38(56)49-31(16-8-21-46-41(43)44)37(55)50-33(39(57)48-30)24-27-25-47-29-14-5-4-13-28(27)29/h1-5,11-14,25,30-34,45,47H,6-10,15-24H2,(H2,42,54)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,46)/t30-,31-,32+,33-,34-/m0/s1
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| InChIKey |
VFHJQMPJMWPJBF-UBLLTGQXSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor
Clinical Information about the Compound