General Information of the Compound
| Compound ID |
CP0402206
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| Compound Name |
Ac-His-DPhe(pCF3)-Arg-Trp-NH2
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| Synonyms |
Ac-His-DPhe(pCF3)-Arg-Trp-NH2
CHEMBL501679
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| Structure |
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| Formula |
C35H42F3N11O5
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| Molecular Weight |
753.787
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C35H42F3N11O5/c1-19(50)46-29(15-23-17-42-18-45-23)33(54)49-28(13-20-8-10-22(11-9-20)35(36,37)38)32(53)47-26(7-4-12-43-34(40)41)31(52)48-27(30(39)51)14-21-16-44-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,44H,4,7,12-15H2,1H3,(H2,39,51)(H,42,45)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,40,41,43)/t26-,27-,28+,29-/m0/s1
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| InChIKey |
OBZQTNACJLTWOC-FKWFRFQNSA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor
Clinical Information about the Compound
Drug 1 ( Ac-His-DPhe(pCF3)-Arg-Trp-NH2 )
| Drug Name | Ac-His-DPhe(pCF3)-Arg-Trp-NH2 | ||
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