InChIKey	PEMUGDMSUDYLHU-ZEQRLZLVSA-N
Compound Name	Adagrasib
Canonical SMILES	C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Cross-Family
Avg pChEMBL	8.31
Source	ChEMBL;BindingDB

DrugBank ID	DB15568
Drug Name	Adagrasib
CAS Number	2326521-71-3
Groups	approved investigational
ATC Codes	L01XX77
Description	Adagrasib (MRTX849) is an oral, small-molecule KRAS inhibitor developed by Mirati Therapeutics. KRAS mutations are highly common in cancer and account for approximately 85% of all RAS family mutations.[A254941] However, the development of KRAS inhibitors has been challenging due to their high affini...

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Categories: Antineoplastic Agents Antineoplastic Agents, Immunological Antineoplastic and Immunomodulating Agents Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Immune Checkpoint Inhibitors Nitriles P-glycoprotein inhibitors QTc Prolonging Agents RAS GTPase Inhibitors

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Cross-references: BindingDB: 50539763 CHEMBL4594350 ChemSpider: 81409342 PDB: A1B7W RxCUI: 2625882 Wikipedia: Adagrasib