Drug · ALK / ROS1 TKI · ALK / ROS1 TKI · Verified drug
Alectinib (Alecensa) structure · mechanism
Alectinib (Alecensa) 2D structure
- Role
- Drug
- Mechanism class
- ALK / ROS1 TKI
- InChIKey
KDGFLJKFZUIJMX-UHFFFAOYSA-N- Parent scaffold
- ALK aminopyridine pharmacophore
- Structure source
- Catalog seed (external identifier on file)
- PubChem CID
- 49806720
- ChEMBL ID
- CHEMBL1739710
- InChI Key
- KDGFLJKFZUIJMX-UHFFFAOYSA-N
Hand-written analysis
Mechanism
알렉티닙은 ALK 선택적 2세대로 뇌전이와 L1196M 일부를 개선합니다. G1202R에는 약합니다. 근골격 독성·빌리루빈 상승을 봅니다.
Medicinal chemistry
벤조카바졸 코어로 크리조티닙과 케모타입이 완전히 다릅니다. 음식과 함께 흡수됩니다.
Indication · context
ALK+ NSCLC 1차 표준 중 하나입니다. 로를라티닙은 더 넓은 내성·CNS를 겨냥합니다.
SMILES
CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)N=C5C=CC(=CC5=N2)C6=CC(=C(C=C6)OC)OCTags
Related compounds
Comparisons · briefs
External IDs · BioMoa
StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.