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Name | CHEMBL283914 |
---|---|
Molecular formula | C35H38Cl2N4O6 |
IUPAC name | (3S)-3-[[5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoyl]amino]-4-(naphthalen-1-ylamino)-4-oxobutanoic acid |
Molecular weight | 681.611 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 5.9 |
Synonyms | (S)-3-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoylamino]-N-naphthalen-1-yl-succinamic acid BDBM50048788 |
Inchi Key | AHQATBOIVCZNNN-XIJSCUBXSA-N |
Inchi ID | InChI=1S/C35H38Cl2N4O6/c36-24-18-23(19-25(37)20-24)32(45)40-28(34(47)41-16-14-35(15-17-41)12-3-4-13-35)10-11-30(42)38-29(21-31(43)44)33(46)39-27-9-5-7-22-6-1-2-8-26(22)27/h1-2,5-9,18-20,28-29H,3-4,10-17,21H2,(H,38,42)(H,39,46)(H,40,45)(H,43,44)/t28?,29-/m0/s1 |
PubChem CID | 44280131 |
ChEMBL | CHEMBL283914 |
IUPHAR | N/A |
BindingDB | 50048788 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
5798 | Gastrin/cholecystokinin type B receptor | P32239 | CCKBR | Homo sapiens (Human) | 447 |
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