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

General Information of Drug (ID: DR3514)
Drug Name	Ridaforolimus
Synonyms	Deforolimus; AP 23573; MK 8669; AP-23573; MK-8669; AP23573, MK-8669, Ridaforolimus, Deforolimus
Indication	Sarcoma [ICD11: 2A60-2C35]				Phase 3	[1]
Structure
Structure	3D MOL			2D MOL
Pharmaceutical Properties	Molecular Weight		990.2	Topological Polar Surface Area		202
	Heavy Atom Count		69	Rotatable Bond Count		8
	Hydrogen Bond Donor Count		2	Hydrogen Bond Acceptor Count		14
Cross-matching ID	PubChem CID 11520894 ChEBI ID CHEBI:79700 CAS Number 572924-54-0 TTD Drug ID D0O3CV Formula C53H84NO14P Canonical SMILES C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OP(=O)(C)C)C)/C)O)OC)C)C)/C)OC InChI InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1 InChIKey BUROJSBIWGDYCN-GAUTUEMISA-N

The Predicted Metabolic Roadmap of This Drug

The Full List of Predicted Drug Metabolites (PDM) of This Drug

PDM Name	PDM ID	PubChem ID	Reaction	PDM Level	Biosystem
Ridaforolimus M1	PDM014682	N. A.	Hydrolysis - Hydrolysis of cyclic tertiary carboxamide	1	Human
Ridaforolimus M2	PDM014683	N. A.	Conjugation - Alkyl-OH-glucuronidation	1	Human
Ridaforolimus M3	PDM014684	N. A.	Conjugation - Sulfation of secondary alcohol	1	Human

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]

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: 7884).
2	The effect of multiple doses of rifampin and ketoconazole on the single-dose pharmacokinetics of ridaforolimus

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