Trp-Trp
AlkaPlorer ID: AK022290
Synonym: 'WW', 'H-L-Trp-L-Trp-OH', 'L-Trp-L-Trp', 'tryptophyltryptophan', 'Tryptophyl-Tryptophan', 'N-L-Tryptophyl-L-tryptophan'
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Structure
SMILES: N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O
InChI: InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)/t17-,20-/m0/s1
InChIKey: NQIHMZLGCZNZBN-PXNSSMCTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 390.4430000000001
TPSA？: 127.49
MolLogP？: 3.171400000000001
Number of H-Donors: 5
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Dipeptidyl peptidase IV | Inhibition | 2.0 | % | 10.1016/s0960-894x(98)00259-5 |
| Homo sapiens | Oligopeptide transporter small intestine isoform | EC50 | nan | None | 10.1021/jm0511029 |
| Homo sapiens | Oligopeptide transporter small intestine isoform | IC50 | 250000.0 | nM | 10.1021/jm0511029 |
| Homo sapiens | Oligopeptide transporter small intestine isoform | max activation | nan | None | 10.1021/jm0511029 |
| Homo sapiens | Solute carrier family 15 member 2 | Ki | 794.33 | nM | 10.1016/j.bmc.2011.06.027 |
| Homo sapiens | Solute carrier family 15 member 2 | Ki | 800.0 | nM | 10.1016/j.bmc.2011.06.027 |
| None | No relevant target | LogP | 0.27 | None | 10.1021/jm00393a031 |
| None | No relevant target | pKa | 3.38 | None | 10.1007/s11095-013-1232-z |
| None | Unchecked | Log 1/T | 3.6 | None | 10.1021/jm00014a022 |
| None | Unchecked | Log 1/T | 3.6 | None | 10.1021/jm00393a031 |
| None | Unchecked | Slope | 235.0 | g dl-1M-1 | 10.1021/jm00174a008 |