Details of the Drug Pharmacogenomic Perturbation Atlas

Neupro Drug Info

Rotigotine; 99755-59-6; Leganto; SPM 962; (S)-6-(propyl(2-(thiophen-2-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol; (6S)-rotigotine; UNII-87T4T8BO2E; (6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol; SPM-962; N 0923; CHEMBL1303; 87T4T8BO2E; 99755-59-6 (free base); (6S)-6-(Propyl(2-(2-thienyl)ethyl)amino)-5,6,7,8-tetrahydro-1-naphthalenol; NCGC00168748-01; Rotigotine CDS Patch; (6s)-5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-1-naphthalenol; DSSTox_CID_26772; DSSTox_RID_81893; DSSTox_GSID_46772; C19H25NOS; Rotigotine CDS; (S)-5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthol; (S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-tetrahydro-naphthalen-1-ol; CAS-99755-59-6; Neupro (TN); N-0923; Rotigotine [USAN:INN:BAN]; (S)-5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-1-naphthol; (S)-6-[Propyl[2-(thiophen-2-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol; SPM-936; SPM-937; PubChem16423; (-)-(S)-5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthol; GTPL941; cc-129; Rotigotine (JAN/USAN/INN); (-)-N-0437; SCHEMBL1088585; ZINC4028; DTXSID5046772; HSDB 8254; (2S)-2-[propyl-[2-(2-thienyl)ethyl]amino]tetralin-5-ol; CHEBI:135351; HMS3885D17; EX-A1164; Tox21_112627; 2696AH; BDBM50123626; MFCD00870193; s4274; AKOS016340728; Tox21_112627_1; AC-3547; CCG-267650; CS-0376; DB05271; SB19528; SS-4572; 1-naphthalenol, 5,6,7,8-tetrahydro-6-(propyl (2-(2-thienyl)ethyl)amino-(6S)-; NCGC00168748-02; HY-75502; AB0088886; SW220014-1; D05768; W-5179; 572R932; A846076; Q411985; J-502471; UNII-5QTR54Z0E1 component KFQYTPMOWPVWEJ-INIZCTEOSA-N; (6S)-6-(propyl-(2-thiophen-2-ylethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol; 1-Naphthalenol, 5,6,7,8-tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-, (6S)-

Cross-matching ID

PubChem CID

59227

ChEBI ID

CHEMBL1303

CAS Number

CAS 99755-59-6

TTD Drug ID

D81KMY

ACDINA Drug ID

D01405

General Information of Drug (ID: DMHEAB1)

Consensus Signature of Drug Pharmacogenomic Perturbation (DPP)

Term Name	NES	FDR q-val	Tag %	Leading Edge Genes
Galactose metabolism	1.74	3.55e-1	26/31 (83.87%)	HK2;AKR1B10;PFKL;...
Mannose type O-glycan biosynthesis	1.73	2.13e-1	14/23 (60.87%)	B4GALT3;FUT9;RXYLT1;...
Nitrogen metabolism	1.70	1.62e-1	16/17 (94.12%)	CA2;CPS1;GLUD1;...
Estrogen signaling pathway	1.57	4.28e-1	119/137 (86.86%)	KRT17;GNAS;KRT14;...
Ferroptosis	1.56	3.67e-1	36/41 (87.8%)	GPX4;SLC39A8;TFRC;...
Dilated cardiomyopathy	1.54	3.53e-1	86/96 (89.58%)	GNAS;TGFB1;ATP2A3;...
Intestinal immune network for IgA production	1.53	3.32e-1	38/48 (79.17%)	TGFB1;HLA-DQA1;TNFSF13;...
Maturity onset diabetes of the young	1.52	3.13e-1	21/26 (80.77%)	HES1;NKX2-2;PAX6;...
Primary immunodeficiency	1.47	4.10e-1	33/38 (86.84%)	CD8A;CD79A;IL7R;...
Arrhythmogenic right ventricular cardiomyopathy	1.47	3.80e-1	70/77 (90.91%)	ATP2A3;GJA1;ATP2A1;...
Morphine addiction	1.46	3.84e-1	80/91 (87.91%)	GNAS;GNB2;ADCY1;...
Relaxin signaling pathway	1.43	4.25e-1	114/129 (88.37%)	GNAS;TGFB1;GNB2;...
Steroid hormone biosynthesis	1.41	4.63e-1	43/61 (70.49%)	HSD17B2;AKR1C1;AKR1C2;...
Nicotine addiction	1.41	4.35e-1	32/40 (80%)	GABRP;CACNA1A;SLC17A6;...
Alcoholism	1.38	5.05e-1	86/186 (46.24%)	NTRK2;GNAS;CALML5;...
Hypertrophic cardiomyopathy	1.38	4.80e-1	81/90 (90%)	TGFB1;ATP2A3;ACTC1;...
Tight junction	1.37	4.86e-1	130/169 (76.92%)	MAP3K5;CLDN4;CDC42;...
Pancreatic secretion	1.36	4.78e-1	87/102 (85.29%)	CA2;GNAS;ATP2A3;...
Renal cell carcinoma	1.35	4.92e-1	68/69 (98.55%)	TGFB1;CDC42;MET;...
Salivary secretion	1.35	4.85e-1	76/93 (81.72%)	GNAS;CALML5;ATP2B1;...
Huntington disease	1.33	5.10e-1	233/306 (76.14%)	MAP3K5;PPARG;TGM2;...
Endocrine and other factor-regulated calcium reabsorpti...	1.33	5.13e-1	49/53 (92.45%)	GNAS;ATP2B1;AP2M1;...
RNA degradation	1.32	5.21e-1	53/79 (67.09%)	CNOT3;LSM5;PFKL;...
Proximal tubule bicarbonate reclamation	1.24	5.44e-1	21/23 (91.3%)	CA2;GLUD1;SLC4A4;...
Vasopressin-regulated water reabsorption	1.20	5.40e-1	40/44 (90.91%)	GNAS;AQP3;ARHGDIA;...
Dopaminergic synapse	1.20	5.30e-1	115/132 (87.12%)	GNAS;CALML5;GNB2;...
Allograft rejection	1.20	5.27e-1	32/38 (84.21%)	HLA-DQA1;PRF1;HLA-DMB;...
ECM-receptor interaction	1.20	5.20e-1	80/88 (90.91%)	CD36;CD44;COL4A5;...
Cortisol synthesis and secretion	1.19	5.44e-1	58/65 (89.23%)	GNAS;GNA11;ADCY1;...
Viral myocarditis	1.18	5.39e-1	53/60 (88.33%)	HLA-DQA1;ABL1;SGCG;...
PPAR signaling pathway	-1.31	3.08e-1	66/74 (89.19%)	CPT1A;PCK2;APOA1;...
Glycine, serine and threonine metabolism	-1.37	2.66e-1	31/40 (77.5%)	MAOA;AGXT;SHMT1;...
Adipocytokine signaling pathway	-1.38	2.66e-1	64/69 (92.75%)	IKBKB;LEP;ACACB;...
Pertussis	-1.41	2.30e-1	64/76 (84.21%)	GNAI2;MAPK9;CALML4;...
Signaling pathways regulating pluripotency of stem cell...	-1.41	2.34e-1	110/143 (76.92%)	APC2;IGF1;BMP4;...
Peroxisome	-1.41	2.38e-1	72/82 (87.8%)	IDH1;PECR;PMVK;...
Malaria	-1.43	2.10e-1	44/50 (88%)	TNF;MYD88;TGFB2;...
beta-Alanine metabolism	-1.44	2.06e-1	25/30 (83.33%)	ALDH3A2;ALDH9A1;CNDP2;...
Epithelial cell signaling in Helicobacter pylori infect...	-1.44	2.15e-1	62/70 (88.57%)	EGFR;ATP6V0A2;PAK1;...
NF-kappa B signaling pathway	-1.44	2.25e-1	90/104 (86.54%)	LTB;TNFSF14;CCL21;...
MicroRNAs in cancer	-1.45	2.32e-1	146/310 (47.1%)	HMGA2;APC2;CCND1;...
Terpenoid backbone biosynthesis	-1.46	2.23e-1	18/22 (81.82%)	HMGCS1;PDSS1;IDI1;...
Propanoate metabolism	-1.46	2.33e-1	30/34 (88.24%)	ACACB;ACSS3;ALDH6A1;...
Aminoacyl-tRNA biosynthesis	-1.46	2.36e-1	15/66 (22.73%)	HARS2;GATC;DARS2;...
Fatty acid degradation	-1.51	1.73e-1	40/43 (93.02%)	ACSL3;ALDH3A2;ALDH9A1;...
Pyruvate metabolism	-1.53	1.64e-1	41/47 (87.23%)	HAGH;ALDH3A2;PDHA1;...
Phagosome	-1.53	1.70e-1	118/152 (77.63%)	CD14;ITGAV;MARCO;...
Lysine degradation	-1.53	1.74e-1	51/63 (80.95%)	PLOD3;AASS;GCDH;...
Mineral absorption	-1.55	1.67e-1	48/60 (80%)	SLC26A6;VDR;STEAP1;...
Pantothenate and CoA biosynthesis	-1.58	1.41e-1	14/21 (66.67%)	ALDH3A2;PPCS;PANK2;...
Valine, leucine and isoleucine degradation	-1.59	1.38e-1	42/48 (87.5%)	ALDH3A2;ALDH9A1;ACADM;...
Coronavirus disease	-1.60	1.35e-1	215/232 (92.67%)	OAS2;EGFR;RPS25;...
Steroid biosynthesis	-1.60	1.47e-1	19/20 (95%)	CYP24A1;EBP;CYP27B1;...
Neutrophil extracellular trap formation	-1.61	1.62e-1	101/189 (53.44%)	FPR2;CAMP;FGG;...
Glycosaminoglycan degradation	-1.63	1.71e-1	19/19 (100%)	GUSB;HPSE2;GALNS;...
Biosynthesis of unsaturated fatty acids	-1.63	2.01e-1	21/27 (77.78%)	FADS2;ELOVL5;TECR;...
Legionellosis	-1.68	1.36e-1	51/57 (89.47%)	CYCS;HSPA1A;CXCL1;...
Glyoxylate and dicarboxylate metabolism	-1.69	1.78e-1	23/30 (76.67%)	HYI;PCCB;AGXT;...
Nicotinate and nicotinamide metabolism	-1.71	2.32e-1	25/35 (71.43%)	NT5C;NMRK1;NT5E;...
Complement and coagulation cascades	-1.81	1.48e-1	76/85 (89.41%)	CFH;PLAUR;SERPINF2;...

Pharmacogenomic Perturbation Across Diseases and Tissues

Breast

Breast adenocarcinoma

Cell Line Name	Cellosaurus Accession	Species of Origin	Drug Dosage	Time Point
MCF7	CVCL_0031	Homo sapiens	0.01uM - 10uM	24H

MDA-MB-231	CVCL_0062	Homo sapiens	0.01uM - 0.74uM	24H

Breast epithelium

Normal

Cell Line Name	Cellosaurus Accession	Species of Origin	Drug Dosage	Time Point	Details
MCF-10A	CVCL_0598	Homo sapiens	0.01uM - 10uM	24H

Cervix

Cervical adenocarcinoma

Cell Line Name	Cellosaurus Accession	Species of Origin	Drug Dosage	Time Point	Details
HeLa	CVCL_0030	Homo sapiens	0.01uM - 10uM	24H

Colon

Colorectal adenocarcinoma

Cell Line Name	Cellosaurus Accession	Species of Origin	Drug Dosage	Time Point	Details
HT-29	CVCL_0320	Homo sapiens	0.01uM - 10uM	24H

Kidney

Normal (Immortalized)

Cell Line Name	Cellosaurus Accession	Species of Origin	Drug Dosage	Time Point	Details
HA1E	CVCL_0284	Homo sapiens	0.01uM - 10uM	24H

Normal (Transformed)

Cell Line Name	Cellosaurus Accession	Species of Origin	Drug Dosage	Time Point	Details
HEK293	CVCL_0045	Homo sapiens	0.04uM - 10uM	24H

Lung

Lung adenocarcinoma

Cell Line Name	Cellosaurus Accession	Species of Origin	Drug Dosage	Time Point	Details
A549	CVCL_0023	Homo sapiens	0.01uM - 10uM	24H

Pancreas

Pancreatic carcinoma

Cell Line Name	Cellosaurus Accession	Species of Origin	Drug Dosage	Time Point	Details
YAPC	CVCL_1791	Homo sapiens	0.01uM - 10uM	24H

Peripheral blood

Acute monocytic leukemia

Cell Line Name	Cellosaurus Accession	Species of Origin	Drug Dosage	Time Point	Details
THP-1	CVCL_0006	Homo sapiens	0.01uM - 10uM	24H

T-cell acute lymphoblastic leukemia

Cell Line Name	Cellosaurus Accession	Species of Origin	Drug Dosage	Time Point	Details
Jurkat	CVCL_0367	Homo sapiens	0.01uM - 10uM	24H

Prostate

Prostate carcinoma

Cell Line Name	Cellosaurus Accession	Species of Origin	Drug Dosage	Time Point	Details
PC-3	CVCL_0035	Homo sapiens	0.01uM - 10uM	24H

Skin

Melanoma

Cell Line Name	Cellosaurus Accession	Species of Origin	Drug Dosage	Time Point	Details
A-375	CVCL_0132	Homo sapiens	0.01uM - 10uM	24H

Umbilical vein

Normal

Cell Line Name	Cellosaurus Accession	Species of Origin	Drug Dosage	Time Point	Details
HUVEC-C	CVCL_2959	Homo sapiens	0.04uM - 10uM	24H