Details of the Drug

General Information of Drug (ID: DM7EVUF)

• Drug Name: Asciminib
• Synonyms: ABL-001; 1492952-76-7; Asciminib free base; ABL001-NX; UNII-L1F3R18W77; L1F3R18W77; NVP-ABL001; (R)-N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamide; 1492952-76-7 (free base); N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide; Asciminib [USAN]; Asciminib (ABL001); Asciminib (USAN/INN); GTPL8962; CHEMBL4208229; SCHEMBL15388306; TQP0925; EX-A3030; BDBM50459091; NSC789925; s8555; ZINC150275965; CCG-269232; CS-7655; DB12597; NSC-789925; SB18878; BS-15538; HY-104010; D11403; Q27074535; (R)-N-(4-(Chloro difluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamide; AY7

Indication

Disease Entry	ICD 11	Status	REF
Chronic myeloid leukaemia	2A20	Approved	[1]

• Affected Organisms: Humans and other mammals
• ATC Code:
  L01EA06: Asciminib
  L01EA: BCR-ABL tyrosine kinase inhibitors
  L01E: PROTEIN KINASE INHIBITORS
  L01: ANTINEOPLASTIC AGENTS
  L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 449.8
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• ADMET Property:
  Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 15112 mcgh/L [2]
  Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 1781 mcg/L [2]
  Absorption Tmax: The time to maximum plasma concentration (Tmax) is 2.5 h [2]
  Clearance: The clearance of drug is 6.7 L/h [2]
  Elimination: Following oral administration, approximately 80% and 11% of an asciminib dose was recovered in the feces and urine, respectively [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 5.5 hours [2]
  Metabolism: The drug is metabolized via the CYP3A4 [2]
  Vd: The volume of distribution (Vd) of drug is 151 L [2]
• Chemical Identifiers:
  Formula: C20H18ClF2N5O3
  IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
  Canonical SMILES: C1CN(C[C@@H]1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=NN4
  InChI: InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1
  InChIKey: VOVZXURTCKPRDQ-CQSZACIVSA-N
• Cross-matching ID:
  PubChem CID: 72165228
  ChEBI ID: CHEMBL4208229
  CAS Number: 1492952-76-7
  UNII: L1F3R18W77
  DrugBank ID: DB12597
  TTD ID: DSHT18
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• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fusion protein Bcr-Abl (Bcr-Abl)	TTS7G69	BCR_HUMAN-ABL1_HUMAN	Inhibitor	[3]

References

• [1] FDA Approved Drug Products from FDA Official Website. 2022. Application Number: 215358.
• [2] FDA Approved Drug Products: Scemblix (asciminib) tablets for oral use
• [3] Asciminib in Chronic Myeloid Leukemia after ABL Kinase Inhibitor Failure. N Engl J Med. 2019 Dec 12;381(24):2315-2326.