2-[2-(7-hydroxy-8-methyl-2-oxo-2H-chromen-4-yl)acetamido]-3-(1H-indol-3-yl)propanoic acid
AlkaPlorer ID: AK136129
Synonym: None
IUPAC Name: (2S)-2-[[2-(7-hydroxy-8-methyl-2-oxochromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
Structure
SMILES: CC1=C(O)C=CC2=C1OC(=O)C=C2CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O
InChI: InChI=1S/C23H20N2O6/c1-12-19(26)7-6-16-13(10-21(28)31-22(12)16)9-20(27)25-18(23(29)30)8-14-11-24-17-5-3-2-4-15(14)17/h2-7,10-11,18,24,26H,8-9H2,1H3,(H,25,27)(H,29,30)/t18-/m0/s1
InChIKey: FYQLFISRIOIOBY-SFHVURJKSA-N
Reference
PubChem CID: 16399584
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 420.42100000000016
TPSA？: 132.63
MolLogP？: 2.64292
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Equus caballus | Ferritin light chain | Potency | 35481.3 | nM | None |
| Homo sapiens | Beta-glucocerebrosidase | Potency | 17782.8 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 31622.8 | nM | None |
| Homo sapiens | Importin subunit beta-1/Snurportin-1 | Potency | 44668.4 | nM | None |
| Homo sapiens | Protein disulfide-isomerase | AC50 | 6760.0 | nM | None |
| Homo sapiens | Sphingomyelin phosphodiesterase | Potency | 25118.9 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 31622.8 | nM | None |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Potency | 125.9 | nM | None |
| None | Unchecked | Potency | 12589.3 | nM | None |