DDI-GCNN - Mechanism Database

Perpetrator	CYP isoform(s)	Top-1 motif	Known victims
Cimetidine	CYP11B1 CYP2C8 CYP2C9 CYP2E1 CYP1A2 CYP2D6 CYP2C19 CYP3A4 CYP3A5	cC	417
Metyrapone	CYP11B1 CYP2E1 CYP11B2 CYP2A6 CYP3A4	c1ccncc1	47
Troglitazone	CYP19A1 CYP2C9 CYP3A5 CYP3A7 CYP2C19 CYP2C8	c1ccccc1	207
Cannabidiol	CYP1A1	CC	10
Ellipticine	CYP1A1 CYP1A2	c1ccccc1	116
Enoxacin	CYP1A2	c1ccncc1	140
Enrofloxacin	CYP1A2	C1CC1	189
Furafylline	CYP1A2	cC	111
Garenoxacin	CYP1A2	C1CC1	103
Gatifloxacin	CYP1A2	C1CC1	131
Grepafloxacin	CYP1A2	C1CC1	99
Lomefloxacin	CYP1A2	c1ccncc1	103
Moxifloxacin	CYP1A2	c1ccncc1	128
Myristicin	CYP1A2	c1cOCO1	157
Nalidixic acid	CYP1A2	c1ccncc1	111
Ofloxacin	CYP1A2	c1cnCCO1	105
Sparfloxacin	CYP1A2	C1CC1	108
Trovafloxacin	CYP1A2	c1ccncc1	100
Zileuton	CYP1A2	NO	85
Norfloxacin	CYP1A2 CYP1A1 CYP3A4 CYP3A7	c1ccncc1	257
Clinafloxacin	CYP1A2 CYP2C19 CYP2D6 CYP2C9	c1ccncc1	117
Lobeglitazone	CYP1A2 CYP2C9 CYP2C19 CYP2C8	CN	252
Amiodarone	CYP1A2 CYP2C9 CYP2D6 CYP3A4	cI	173
Rosiglitazone	CYP1A2 CYP2D6 CYP2C8 CYP2C9	c1ccncc1	319
Dihydralazine	CYP1A2 CYP3A4	NN	113
Ciprofloxacin	CYP1A2 CYP3A5 CYP3A4 CYP3A7	c1ccncc1	263
Chalepensin	CYP2A6	c=O	15
Tranylcypromine	CYP2A6	C1CC1	32
Isoniazid	CYP2A6 CYP1A2 CYP2C19 CYP3A4	NN	325
R-(-)-deprenyl	CYP2B1	CN	1
Methoxsalen	CYP2B1 CYP2A6	c=O	35
9-Ethynylphenanthrene	CYP2B4 CYP2B1	C#C	1
Tert-Butylphenylacetylene	CYP2B4 CYP2B6	C#C	50
Clopidogrel	CYP2B6	c1ccsc1	46
Imperatorin	CYP2B6	c=O	32
Isoimperatorin	CYP2B6	c=O	31
Isopsoralen	CYP2B6	c=O	88
Phencyclidine	CYP2B6	C1CCNCC1	7
Psoralen	CYP2B6	c=O	88
Ticlopidine	CYP2B6	c1ccsc1	58
Clorgyline	CYP2B6 CYP1A2	CN	2
Voriconazole	CYP2B6 CYP2C9 CYP2C19 CYP3A4 CYP3A5	c1ncnn1	343
Oxypeucedanin	CYP2B6 CYP2D6	c=O	258
Orphenadrine	CYP2B6 CYP3A4 CYP2E1 CYP1A2 CYP2D6	CN	273
Phenelzine	CYP2C19 CYP2C8 CYP3A4 CYP3A5 CYP3A7 CYP2D6	NN	304
Stiripentol	CYP2C19 CYP2D6 CYP3A4 CYP1A2 CYP2C9 CYP2B6 CYP2C8	c1cOCO1	424
Pioglitazone	CYP2C8	cC	78
Gemfibrozil	CYP2C8 CYP2C9	CC	227
Bergaptol	CYP2C9	c=O	224
Levofloxacin	CYP2C9	c1cnCCO1	31
Linderane	CYP2C9	C1CO1	222
Methysticin	CYP2C9	CO	97
Sesamin	CYP2C9	C1CCCO1	143
Suprofen	CYP2C9	c1ccsc1	147
Tienilic acid	CYP2C9 CYP2C10	c1ccsc1	105
Chelidonine	CYP2D6	c1ccccc1	224
Methylenedioxymethamphetamine	CYP2D6	c1cOCO1	31
Nitidine Chloride	CYP2D6	C[n+]	231
Notopterol	CYP2D6	c=O	128
Paroxetine	CYP2D6	c1cOCO1	151
Quinidine	CYP2D6	CC	48
Quinine	CYP2D6	CO	107
Fluoxetine	CYP2D6 CYP2C19 CYP3A4	CN	58
Norfluoxetine	CYP2D6 CYP2C19 CYP3A4	c1ccccc1	607
N-desethylamiodarone	CYP2D6 CYP2C9	cI	237
Nortriptyline	CYP2D6 CYP2E1	C1ccCCcc1	65
Indinavir	CYP2D6 CYP3A4 CYP3A5 CYP3A7	c1ccncc1	129
3-Hydroxyacetanilide	CYP2E1	CN	35
Diallyl sulfide	CYP2E1	CS	38
Halothane	CYP2E1	CCl	10
4-Ipomeanol	CYP3A4	Cc	425
Azithromycin	CYP3A4	CO	86
Bufalin	CYP3A4	c=O	676
Clarithromycin	CYP3A4	CO	196
Cobicistat	CYP3A4	c1cscn1	382
D-617	CYP3A4	CO	483
DX-619	CYP3A4	C1CC1	709
Dasatinib	CYP3A4	c1cscn1	42
Diltiazem	CYP3A4	CN	221
Dimethomorph	CYP3A4	cCl	479
Erythromycin	CYP3A4	CO	142
Ethinylestradiol	CYP3A4	C1CCCCC1	95
Flurithromycin	CYP3A4	CO	132
Gefitinib	CYP3A4	cN	265
Gestodene	CYP3A4	C1CCCCC1	98
Imatinib	CYP3A4	cC	249
Itraconazole	CYP3A4	c1ncnn1	257
Josamycin	CYP3A4	CO	5
Ketoconazole	CYP3A4	cN	350
L-754394	CYP3A4	CN	568
Lapatinib	CYP3A4	c1ccoc1	133
Meclizine	CYP3A4	cC	38
Mibefradil	CYP3A4	c1c[nH]cn1	220
Midazolam	CYP3A4	cC	93
Midecamycin	CYP3A4	CO	131
Miocamycin	CYP3A4	CO	721
Nefazodone	CYP3A4	CC	161
Norverapamil	CYP3A4	cO	510
Podophyllotoxin	CYP3A4	c1cOCO1	442
Posaconazole	CYP3A4	c1nncn1	144
Raloxifene	CYP3A4	c-c	201
Ritonavir	CYP3A4	CN	429
Rokitamycin	CYP3A4	CO	132
Roxithromycin	CYP3A4	CO	144
Savinin	CYP3A4	c1cOCO1	539
Sorafenib	CYP3A4	cN	268
Spiramycin II	CYP3A4	CO	729
Sunitinib	CYP3A4	cC	112
Tadalafil	CYP3A4	c1cc[nH]c1	51
Trazodone	CYP3A4	cCl	60
Troleandomycin	CYP3A4	CO	257
Verapamil	CYP3A4	CN	210
Zafirlukast	CYP3A4	cC	281
Chloramphenicol	CYP3A4 CYP2C19	C	272
Nilotinib	CYP3A4 CYP2C8 CYP2C9 CYP2D6	cC	290
Bergamottin	CYP3A4 CYP2C9	c=O	311
Pazopanib	CYP3A4 CYP2D6	Cn	125
Sertraline	CYP3A4 CYP2D6	CN	123
Dronedarone	CYP3A4 CYP3A5	cC	36
Erdafitinib	CYP3A4 CYP3A5	Cn	6
Erlotinib	CYP3A4 CYP3A5	CO	199
Futibatinib	CYP3A4 CYP3A5	Cn	372
Icotinib	CYP3A4 CYP3A5	c1cOCCOCCOCCO1	7
Pemigatinib	CYP3A4 CYP3A5	C1COCCN1	8
Piperine	CYP3A4 CYP3A5 CYP2D6	c1cOCO1	566
Infigratinib	CYP3A4 CYP3A5 CYP2J2	C=N	159
Fluconazole	CYP3A5 CYP3A4 CYP2C9 CYP2C19	c1ncnn1	291

MeTDDI mechanism evidence database: perpetrators with known CYP-mediated mechanisms, their atom-level IG attribution maps and top contributing substructures (motifs).