Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR3496)
Drug Name
Almonertinib
Synonyms
HS-10296; Ameile; 1899921-05-1; Egfr T790M inhibitor HS-10296; N-(5-((4-(1-Cyclopropyl-1H-indol-3-yl)pyrimidin-2-yl)amino)-2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxyphenyl)acrylamide; UNII-T4RS462G19; SCHEMBL17683063; GTPL11136; T4RS462G19; EX-A3721; HS 10296 [WHO-DD]; s8817; HS10296; example 26 [WO2016054987A1]; HY-112823; CS-0066162; 2-Propenamide, N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)-2-pyrimidinyl)amino)-2-((2-(dimethylamino)ethyl)methylamino)-4-methoxyphenyl)-; C1(CC1)N1C=C(C2=CC=CC=C12)C1=NC(=NC=C1)NC=1C(=CC(=C(C=1)NC(C=C)=O)N(C)CCN(C)C)OC; N-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
Indication Lung cancer [ICD11: 2C25] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 525.6 Topological Polar Surface Area 87.6
Heavy Atom Count 39 Rotatable Bond Count 11
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
121280087
CAS Number
1899921-05-1
TTD Drug ID
DDH8L6
Formula
C30H35N7O2
Canonical SMILES
CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C5CC5)OC
InChI
InChI=1S/C30H35N7O2/c1-6-29(38)32-24-17-25(28(39-5)18-27(24)36(4)16-15-35(2)3)34-30-31-14-13-23(33-30)22-19-37(20-11-12-20)26-10-8-7-9-21(22)26/h6-10,13-14,17-20H,1,11-12,15-16H2,2-5H3,(H,32,38)(H,31,33,34)
InChIKey
DOEOECWDNSEFDN-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Almonertinib Metabolite HS-10296-M2 DM018979 N. A. Unclear - Unclear 1 [3]
Almonertinib Metabolite M511a DM018985 N. A. Unclear - Unclear 1 [3]
Almonertinib Metabolite M511b DM016547
121280244
Unclear - Unclear 1 [3]
Almonertinib Metabolite M541a and M541c DM018994 N. A. Unclear - Unclear 1 [3]
Almonertinib Metabolite M646 DM018991 N. A. Unclear - Unclear 1 [3]
Almonertinib Metabolite M717 DM018996 N. A. Unclear - Unclear 1 [3]
HS-10296-M30 DM016858
164853372
Unclear - Unclear 1 [3]
Almonertinib Metabolite M440 DM018981 N. A. Unclear - Unclear 2 [3]
Almonertinib Metabolite M470a,M470b,M470c,M470d DM018982 N. A. Unclear - Unclear 2 [3]
Almonertinib Metabolite M470e DM018983 N. A. Unclear - Unclear 2 [3]
Almonertinib Metabolite M497a/b DM018988 N. A. Unclear - Unclear 2 [3]
Almonertinib Metabolite M527a DM018986 N. A. Unclear - Unclear 2 [3]
Almonertinib Metabolite M527b DM018987 N. A. Unclear - Unclear 2 [3]
Almonertinib Metabolite M575 DM018980 N. A. Unclear - Unclear 2 [3]
Almonertinib Metabolite M621 and M621a DM018995 N. A. Unclear - Unclear 2 [3]
Almonertinib Metabolite M632b DM018993 N. A. Unclear - Unclear 2 [3]
Almonertinib Metabolite M687 DM018989 N. A. Unclear - Unclear 2 [3]
Almonertinib Metabolite M688 DM018992 N. A. Unclear - Unclear 2 [3]
Almonertinib Metabolite M607 DM018990 N. A. Unclear - Unclear 3 [3]
Almonertinib Metabolite M617 DM018984 N. A. Unclear - Unclear 3 [3]
⏷ Show the Full List of 20  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013857 Almonertinib Almonertinib Metabolite HS-10296-M2 Unclear - Unclear CYP3A [3]
MR013863 Almonertinib Almonertinib Metabolite M511a Unclear - Unclear Unclear [3]
MR013870 Almonertinib Almonertinib Metabolite M646 Unclear - Unclear Unclear [3]
MR013873 Almonertinib Almonertinib Metabolite M541a and M541c Unclear - Unclear Unclear [3]
MR013875 Almonertinib Almonertinib Metabolite M511b Unclear - Unclear Unclear [3]
MR013877 Almonertinib HS-10296-M30 Unclear - Unclear Unclear [3]
MR013878 Almonertinib Almonertinib Metabolite M717 Unclear - Unclear Unclear [3]
MR013858 Almonertinib Metabolite HS-10296-M2 Almonertinib Metabolite M575 Unclear - Unclear Unclear [3]
MR013859 Almonertinib Metabolite HS-10296-M2 Almonertinib Metabolite M440 Unclear - Unclear Unclear [3]
MR013860 Almonertinib Metabolite HS-10296-M2 Almonertinib Metabolite M470a,M470b,M470c,M470d Unclear - Unclear Unclear [3]
MR013861 Almonertinib Metabolite HS-10296-M2 Almonertinib Metabolite M470e Unclear - Unclear Unclear [3]
MR013864 Almonertinib Metabolite M511a Almonertinib Metabolite M527a Unclear - Unclear Unclear [3]
MR013865 Almonertinib Metabolite M511a Almonertinib Metabolite M527b Unclear - Unclear Unclear [3]
MR013866 Almonertinib Metabolite M511a Almonertinib Metabolite M497a/b Unclear - Unclear Unclear [3]
MR013867 Almonertinib Metabolite M511a Almonertinib Metabolite M687 Unclear - Unclear Unclear [3]
MR013876 Almonertinib Metabolite M511b Almonertinib Metabolite M632b Unclear - Unclear Unclear [3]
MR013874 Almonertinib Metabolite M541a and M541c Almonertinib Metabolite M621 and M621a Unclear - Unclear Unclear [3]
MR013871 Almonertinib Metabolite M646 Almonertinib Metabolite M688 Unclear - Unclear Unclear [3]
MR013872 Almonertinib Metabolite M646 Almonertinib Metabolite M632b Unclear - Unclear Unclear [3]
MR013868 Almonertinib Metabolite M527a Almonertinib Metabolite M607 Unclear - Unclear Unclear [3]
MR013869 Almonertinib Metabolite M527b Almonertinib Metabolite M607 Unclear - Unclear Unclear [3]
MR013862 Almonertinib Metabolite M575 Almonertinib Metabolite M617 Unclear - Unclear Unclear [3]
⏷ Show the Full List of 22 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A (CYP3A) DMEN065 . Not Available Not Available [2]
References
1 ClinicalTrials.gov (NCT04870190) Almonertinib Versus Osimertinib in the Patients With EGFR Mutations in Advanced NSCLC With Brain Metastases (ATTACK). U.S. National Institutes of Health.
2 Itraconazole and rifampicin, as CYP3A modulators but not P-gp modulators, affect the pharmacokinetics of almonertinib and active metabolite HAS-719 in healthy volunteers
3 Absorption, metabolism, excretion, and safety of [(14)C]almonertinib in healthy Chinese subjects

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.