2D 3D
	ID	DDInter1998
	Drug Type	small molecule
	Molecular Formula	C20H18ClF2N5O3
	Molecular Weight	449.840
	CAS Number	1492952-76-7
	Description	Asciminib is a tyrosine kinase inhibitor (TKI) used in the treatment of chronic-phase Philadelphia chromosome-positive chronic myeloid leukemia (Ph+ CML). More specifically, it is an inhibitor of the ABL1 kinase activity of the BCR-ABL1 fusion protein[L38995] which serves as a driver of CML proliferation in most patients with the disease.[L39005] It has also shown benefit in Ph+ CML with the T315I mutation, which produces a mutant BCR-ABL1 which is typically treatment-resistant as compared to wild-type BCR-ABL1. Existing inhibitors of ABL compete at the ATP binding sites of these proteins and can be classified into those that target the active conformation of the kinase domain ([dasatinib], [bosutinib]) and those that target the inactive kinase domain ([imatinib], [nilotinib], [ponatinib]).[A241065] Asciminib is unique in that it acts as an allosteric inhibitor, binding at the myristoyl pocket of the BCR-ABL1 protein and locking it into an inactive conformation.[L38995,A241055] Asciminib received FDA approval on October 29, 2021 (Scemblix, Novartis AG).[L39000]
	ATC Classification	L01EA06
IUPAC Name	N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
InChI	VOVZXURTCKPRDQ-CQSZACIVSA-N
Canonical SMILES	O[C@@H]1CCN(C1)C1=C(C=C(C=N1)C(=O)NC1=CC=C(OC(F)(F)Cl)C=C1)C1=CC=NN1
Useful Links	DrugBank PubChem Substance ChemSpider BindingDB PharmGKB Wikipedia ChEMBL ZINC