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

General Information of Drug (ID: DR1837)
Drug Name
AZD-2014
Synonyms
Vistusertib; vistusertib (AZD2014); 0BSC3P4H5X; 1009298-59-2; 3-(2,4-bis((S)-3-methylmorpholino)pyrido[2,3-d]pyrimidin-7-yl)-N-methylbenzamide; 3-[2,4-Bis((3S)-3-methyLmorpholin-4-yl)pyrido-[5,6-e]pyrimidin-7-yl]-N-methylbenzamide; 3-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[5,6-e]pyrimidin-7-yl]-N-methylbenzamide; 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide; AZD 2014; AZD-2014; AZD2014; C25H30N6O3; CHEMBL2336325; UNII-0BSC3P4H5X; cc-551
Indication Brain cancer [ICD11: 2A00] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 462.5 Topological Polar Surface Area 92.7
Heavy Atom Count 34 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
25262792
PubChem SID
58097037 ; 85072199 ; 137085461 ; 141539022 ; 144115665 ; 152159595 ; 152258658 ; 160647494 ; 162011892 ; 164045802 ; 164149381 ; 164158576 ; 172650682 ; 185990497 ; 198984517 ; 223366032 ; 223389028 ; 223702573 ; 223705079 ; 226633861 ; 241383711 ; 242060353 ; 248835190 ; 251962984 ; 252214932 ; 252450566 ; 252543438 ; 252552002
CAS Number
1009298-59-2
TTD Drug ID
D0Z2UQ
Formula
C25H30N6O3
Canonical SMILES
CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOCC5C
InChI
1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1
InChIKey
JUSFANSTBFGBAF-IRXDYDNUSA-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
AZD-2014 M10-1 DM006744 N. A. Unclear 1 [3]
AZD-2014 M10-2 DM006745 N. A. Unclear 1 [3]
AZD-2014 M11 DM006740
73265224
Unclear 1 [3]
AZD-2014 M15 DM006741
168195918
Unclear 1 [3]
AZD-2014 M8-1 DM006742 N. A. Unclear 1 [3]
AZD-2014 M8-2 DM006743 N. A. Unclear 1 [3]
Unclear DM009999 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007279 AZD-2014 AZD-2014 M11 Unclear Unclear [3]
MR007280 AZD-2014 AZD-2014 M15 Unclear Unclear [3]
MR007281 AZD-2014 AZD-2014 M8-1 Unclear Unclear [3]
MR007282 AZD-2014 AZD-2014 M8-2 Unclear Unclear [3]
MR007283 AZD-2014 AZD-2014 M10-1 Unclear Unclear [3]
MR007284 AZD-2014 AZD-2014 M10-2 Unclear Unclear [3]
MR007285 AZD-2014 Unclear Unclear CYP3A5 ... [3]
⏷ Show the Full List of 7 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
References
1 ClinicalTrials.gov (NCT01793636) A Study Comparing AZD2014 vs Everolimus in Patients With Metastatic Renal Cancer.
2 First-in-human pharmacokinetic and pharmacodynamic study of the dual m-TORC 1/2 inhibitor AZD2014. Clin Cancer Res. 2015 Aug 1;21(15):3412-9.
3 Phase I study of orally administered (14)Carbon-isotope labelled-vistusertib (AZD2014), a dual TORC1/2 kinase inhibitor, to assess the absorption, metabolism, excretion, and pharmacokinetics in patients with advanced solid malignancies

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