Compound NAZ
Identifiers
- Canonical SMILES:
Cc1ccc2ccc(NC(=O)CCNCCC(=O)NCc3ccc4C=CC(=O)Nc4n3)nc2n1
- IUPAC name:
3-({3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}amino)-N-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]propanamide (non-preferred name) - InChi:
InChI=1S/C24H25N7O3/c1-15-2-3-16-5-8-19(30-23(16)27-15)29-22(34)11-13-25-12-10-20(32)26-14-18-7-4-17-6-9-21(33)31-24(17)28-18/h2-9,25H,10-14H2,1H3,(H,26,32)(H,28,31,33)(H,27,29,30,34)
- InChiKey:
BWINWCKASXYPFA-UHFFFAOYSA-N
- SMARTS:
[#6]-[#6]1:[#6]:[#6]:[#6]2:[#6]:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]-[#6]-[#7]-[#6]-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]3:[#6]:[#6]:[#6]4:[#6]:[#6]:[#6](=[#8]):[#7]:[#6]:4:[#7]:3):[#7]:[#6]:2:[#7]:1
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
5497094
NAZ
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 8znq | May 27, 2024 | Chen Qingwen, Fujiwara Aina, Nakatani Kazuhiko, Kawai Gota, Murata Asako. 2025. Identification and structural insights into RNA motifs targeted by a CAG repeat DNA-binding small molecule Chemical Science |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 459.20 g/mol | |||
| HBA | 7 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | 1.80 | |||
| TPSA | 141.76 | |||
| RB | 9 |