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

General Information of Drug (ID: DR1835)
Drug Name
AS-703026
Synonyms
Pimasertib; Pimasertib (AS-703026); (S)-N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-iodophenylamino)isonicotinamide; 1204531-26-9; 1236699-92-5; 6ON9RK82AL; AS 703026; AS-703026; AS703026; C15H15FIN3O3; N-((2S)-2,3-dihydroxypropyl)-3-((2-fluoro-4-iodophenyl)amino)pyridine-4-carboxamide; N-[(2S)-2,3-Dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-4-pyridinecarboxamide; N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodo-anilino)pyridine-4-carboxamide; MSC1936369B; UNII-6ON9RK82AL
Indication Mantle cell lymphoma [ICD11: 2A85] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 431.2 Topological Polar Surface Area 94.5
Heavy Atom Count 23 Rotatable Bond Count 6
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
44187362
PubChem SID
85183024 ; 89947069 ; 99437175 ; 124757278 ; 125164082 ; 131480889 ; 135264540 ; 135267186 ; 136340134 ; 136367436 ; 136368089 ; 136920269 ; 137500464 ; 144115630 ; 152258364 ; 160647201 ; 160709020 ; 162037620 ; 162202575 ; 164041502 ; 164835959 ; 172232519 ; 174006376 ; 174526610 ; 176251505 ; 177749091 ; 186022480 ; 188899591 ; 198984263 ; 215785751 ; 223366201 ; 223382798 ; 223603881 ; 223704297 ; 228806461 ; 242058433 ; 242587784 ; 244900225 ; 249867996 ; 252076945 ; 252110021 ; 252444723 ; 252451745 ; 252543462
ChEBI ID
CHEBI:94793
CAS Number
1204531-26-9
TTD Drug ID
D03CHM
Formula
C15H15FIN3O3
Canonical SMILES
C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)NCC(CO)O
InChI
1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1
InChIKey
VIUAUNHCRHHYNE-JTQLQIEISA-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
AS-703026 M445 DM006734
124220585
Unclear 1 [2]
AS-703026 M554 DM006735
124220568
Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007272 AS-703026 AS-703026 M445 Unclear CYP3A4 ... [2]
MR007273 AS-703026 AS-703026 M554 Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
References
1 Antitumor activity of pimasertib, a selective MEK 1/2 inhibitor, in combination with PI3K/mTOR inhibitors or with multi-targeted kinase inhibitors in pimasertib-resistant human lung and colorectal cancer cells. Int J Cancer. 2013 Nov;133(9):2089-101.
2 Metabolism of the MEK1/2 inhibitor pimasertib involves a novel conjugation with phosphoethanolamine in patients with solid tumors. Drug Metab Dispos. 2017 Feb;45(2):174-182.

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