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

General Information of Drug (ID: DR3204)
Drug Name
Saracatinib
Synonyms H8H; AZD-0530; Saracatinib, AZD-0530, AZD0530; N-(5-Chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine
Indication Acute lymphoblastic leukemia [ICD11: 2B33] Phase 2 [1]
Osteosarcoma [ICD11: ICD11: 2B51] Phase 2 [2]
Solid tumour/cancer [ICD11: ICD11: 2A00-2F9Z] Phase 2 [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 542 Topological Polar Surface Area 90.4
Heavy Atom Count 38 Rotatable Bond Count 8
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
10302451
CAS Number
379231-04-6
TTD Drug ID
D0M0XB
Formula
C27H32ClN5O5
Canonical SMILES
CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl
InChI
InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)
InChIKey
OUKYUETWWIPKQR-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
Saracatinib M1 DM019690 N. A. Unclear - Unclear 1 [4]
Saracatinib M2 DM019692 N. A. Unclear - Unclear 1 [4]
Saracatinib M3 DM019693 N. A. Unclear - Unclear 1 [4]
Saracatinib M4 DM019694 N. A. Unclear - Unclear 1 [4]
Saracatinib M5 DM019691 N. A. Unclear - Unclear 2 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012409 Saracatinib Saracatinib M1 Unclear - Unclear CYP3A4 [4]
MR012411 Saracatinib Saracatinib M2 Unclear - Unclear CYP2D6 ... [4]
MR012412 Saracatinib Saracatinib M3 Unclear - Unclear CYP2D6 ... [4]
MR012413 Saracatinib Saracatinib M4 Unclear - Unclear CYP2D6 ... [4]
MR012410 Saracatinib M1 Saracatinib M5 Unclear - Unclear Unclear [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[4]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[4]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[4]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7731).
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7731).
3 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7731).
4 Cytochrome P450 Mediated Bioactivation of Saracatinib

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