General Information of the Compound
| Compound ID |
CP0374252
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ac-His-DPhe(3,4-diCl)-Arg-Trp-NH2
Show/Hide
|
||||||||||||||||||
| Synonyms |
Ac-His-DPhe(3,4-diCl)-Arg-Trp-NH2
CHEMBL501394
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H41Cl2N11O5
|
||||||||||||||||||
| Molecular Weight |
754.68
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H41Cl2N11O5/c1-18(48)44-29(14-21-16-40-17-43-21)33(52)47-28(12-19-8-9-23(35)24(36)11-19)32(51)45-26(7-4-10-41-34(38)39)31(50)46-27(30(37)49)13-20-15-42-25-6-3-2-5-22(20)25/h2-3,5-6,8-9,11,15-17,26-29,42H,4,7,10,12-14H2,1H3,(H2,37,49)(H,40,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,41)/t26-,27-,28+,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULVZZVUTBBXNBL-FKWFRFQNSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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(3,4-diCl)-Arg-Trp-NH2 )
| Drug Name | Ac-His-DPhe(3,4-diCl)-Arg-Trp-NH2 | ||
|---|---|---|---|