WormBase Tree Display for Molecule: WBMol:00005386
expand all nodes | collapse all nodes | view schema
| WBMol:00005386 | Public_name | LRRK2-IN | |||
|---|---|---|---|---|---|
| Formula | C31H38N8O3 | ||||
| Monoisotopic_mass | 570.307 | ||||
| IUPAC | 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | ||||
| SMILES | COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 | ||||
| InChi | InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34) | ||||
| InChiKey | IWMCPJZTADUIFX-UHFFFAOYSA-N | ||||
| Synonym | LRRK2-IN-1 | ||||
| DB_info | Database | NLM_MeSH | UID | C582847 | |
| CTD | ChemicalID | C582847 | |||
| ChEBI | CHEBI_ID | 78413 | |||
| ChemIDplus | RN | 1234480-84-2 | |||
| Molecule_use | small molecule kinase inhibitor | inhibitor of the Parkinson's disease kinase LRRK2 | ||||
| Reference | WBPaper00041635 |
