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Name | CHEMBL122105 |
---|---|
Molecular formula | C30H34N2O |
IUPAC name | (3S,7S,8R,15S)-8-ethynyl-3,7-dimethyl-18,27-diazaheptacyclo[15.11.0.03,15.04,12.07,11.019,27.021,26]octacosa-1(28),17,19,21,23,25-hexaen-8-ol |
Molecular weight | 438.615 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 7.1 |
Synonyms | 1-(1-ethynyl)-15a,17a-dimethyl-(1R,5aS,15aS,17aS)-2,3,3a,3b,4,5,5a,6,15,15a,15b,16,17,17a-tetradecahydro-1H-cyclopenta[5,6]naphtho[1,2-g]indolo[2,1-b]quinazolin-1-ol(0.25MCH3OH) BDBM50002385 |
Inchi Key | ADQAJGPAAIXEPU-QGRREIRGSA-N |
Inchi ID | InChI=1S/C30H34N2O/c1-4-30(33)14-12-24-22-10-9-21-16-25-20(17-28(21,2)23(22)11-13-29(24,30)3)18-32-26-8-6-5-7-19(26)15-27(32)31-25/h1,5-8,15,18,21-24,33H,9-14,16-17H2,2-3H3/t21-,22?,23?,24?,28-,29-,30-/m0/s1 |
PubChem CID | 44348721 |
ChEMBL | CHEMBL122105 |
IUPHAR | N/A |
BindingDB | 50002385 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
2955 | Substance-P receptor | P14600 | Tacr1 | Rattus norvegicus (Rat) | 407 |
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