Compound ZVM
Identifiers
- Canonical SMILES:
CN1c2ccccc2C(=O)[C@H]3C(=O)N([C@H](N=C13)C4CCC4)c5ccccc5
- IUPAC name:
(2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione
- InChi:
InChI=1S/C22H21N3O2/c1-24-17-13-6-5-12-16(17)19(26)18-21(24)23-20(14-8-7-9-14)25(22(18)27)15-10-3-2-4-11-15/h2-6,10-14,18,20H,7-9H2,1H3/t18?,20-/m0/s1
- InChiKey:
HIWASGKNWCATJA-IJHRGXPZSA-N
- SMARTS:
[#6]-[#7]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](=[#8])-[#6@H]2-[#6](=[#8])-[#7](-[#6@H](-[#7]=[#6]-1-2)-[#6]1-[#6]-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
ZVM
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 8scb | April 5, 2023 | Coelho João P. L., Yip Matthew C. J., Oltion Keely, Taunton Jack, Shao Sichen. 2024. The eRF1 degrader SRI-41315 acts as a molecular glue at the ribosomal decoding center Nature Chemical Biology |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 359.16 g/mol | |||
| HBA | 4 | |||
| HBD | 0 | |||
| HBA + HBD | ||||
| AlogP | 3.51 | |||
| TPSA | 52.98 | |||
| RB | 2 |