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Name | CHEMBL59060 |
---|---|
Molecular formula | C26H30N4O3 |
IUPAC name | 2-methylpropyl N-[(2S)-3-(1H-indol-3-yl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamate |
Molecular weight | 446.551 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 4 |
XlogP | 4.4 |
Synonyms | BDBM50289825 {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-indol-3-yl)-ethylcarbamoyl]-ethyl}-carbamic acid isobutyl ester |
Inchi Key | BZDXMLXOSGUXDE-DEOSSOPVSA-N |
Inchi ID | InChI=1S/C26H30N4O3/c1-17(2)16-33-26(32)30-24(13-19-15-29-23-10-6-4-8-21(19)23)25(31)27-12-11-18-14-28-22-9-5-3-7-20(18)22/h3-10,14-15,17,24,28-29H,11-13,16H2,1-2H3,(H,27,31)(H,30,32)/t24-/m0/s1 |
PubChem CID | 44302017 |
ChEMBL | CHEMBL59060 |
IUPHAR | N/A |
BindingDB | 50289825 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
36352 | Neuromedin-B receptor | P28336 | NMBR | Homo sapiens (Human) | 390 |
36351 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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