Details of the Drug

General Information of Drug (ID: DMSK5N3)

Drug Name

SR8278

Synonyms

SR 8278; SR-8278

Indication

Disease Entry	ICD 11	Status	REF
Myocardial disease	BC43.20	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

361.5

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C18H19NO3S2
IUPAC Name: ethyl 2-(5-methylsulfanylthiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
Canonical SMILES: CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC=C(S3)SC
InChI: InChI=1S/C18H19NO3S2/c1-3-22-18(21)14-10-12-6-4-5-7-13(12)11-19(14)17(20)15-8-9-16(23-2)24-15/h4-9,14H,3,10-11H2,1-2H3
InChIKey: UIEBLUZPSFAFOC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 53393127
CAS Number: 1254944-66-5
TTD ID: D0K1VV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
V-erbA-related protein 1 (NR1D1)	TTAD1O8	NR1D1_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Experimental Cancer Drug Sensitivity Information

Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Autonomic Ganglia Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
SK-N-BE(2)	CTRP2	6.1653	8.9536	4.6892	5.4671
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Cancer Drug Sensitivity Data Curated from 5 Cell Line(s) in Bone Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
SK-ES-1	CTRP2	6.6323	10.4829	4.294	6.2962
SaOS-2	CTRP2	7.0798	10.5971	4.5625	4.491
Hs 822.T	CTRP2	7.1792	8.0123	5.7722	0.1237
G-292 clone A141B1	CTRP2	7.5649	12.8162	3.8266	6.7482
Hs 888.T	CTRP2	8.1968	10.3823	5.2994	0.7205
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Cancer Drug Sensitivity Data Curated from 36 Cell Line(s) in Breast Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
MDA-MB-453	CTRP2	4.8869	8.0433	3.9697	11.2455
T-47D	CTRP2	5.8842	13.7521	2.0562	16.7011
BT-474	CTRP2	5.9135	8.744	4.584	6.3959
MDA-MB-361	CTRP2	6.1325	9.3183	4.4803	13.6042
AU565	CTRP2	6.5417	10.126	4.4018	6.0013
SK-BR-3	CTRP2	6.9392	12.8379	3.3615	9.6158
Hs 578Bst	CTRP2	7.465	12.4224	3.9477	6.4091
MDA-MB-415	CTRP2	7.7888	14.5831	3.127	9.1863
MDA-MB-157	CTRP2	8.2209	9.7995	5.5292	0.226
BT 231	CTRP2	5.3763	8.7284	4.1117	9.5117
BT 245	CTRP2	5.8749	8.7646	4.5406	6.656
BT 172	CTRP2	5.9725	8.1551	4.9285	4.8312
BT 239	CTRP2	6.0479	6.8274	5.6558	1.6269
BT147	CTRP2	6.133	9.7646	4.2576	7.3399
BT 216	CTRP2	6.2375	9.4506	4.4994	6.1306
BT 187	CTRP2	6.2393	8.5431	4.9536	4.2225
BT 422	CTRP2	6.4061	13.5561	2.5855	13.6639
BT 271	CTRP2	6.4403	8.673	5.0437	3.5013
BT 320	CTRP2	6.5891	8.1038	5.4256	1.7185
BT 232	CTRP2	6.6691	12.5282	3.3073	10.3039
BT 139	CTRP2	6.6693	8.8495	5.1223	2.8228
BT 131	CTRP2	6.7077	9.4117	4.8765	3.7673
BT 286	CTRP2	6.7108	10.1885	4.4981	5.3204
BT 228	CTRP2	6.7938	11.9312	3.6998	8.4817
BT 504	CTRP2	6.8913	10.7898	4.3351	5.7043
BT 330	CTRP2	6.998	10.1228	4.7348	3.9135
BT 428	CTRP2	7.0331	11.5028	4.0889	6.4917
BT 482	CTRP2	7.0512	8.6684	5.446	1.1125
BT 333	CTRP2	7.1275	10.5349	4.6251	4.1704
BT 328	CTRP2	7.1446	10.4903	4.658	4.0146
BT 340	CTRP2	7.2117	11.4726	4.2308	5.6401
BT 359	CTRP2	7.3209	11.1278	4.4717	4.5138
BT 444	CTRP2	7.3482	8.5243	5.6505	0.2991
BT 498	CTRP2	7.3937	8.6274	5.6304	0.3239
BT 159	CTRP2	7.7602	11.8408	4.4208	4.1348
BT 440	CTRP2	8.4305	15.2646	3.2391	7.8264
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⏷ Show the Full List of 36 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 5 Cell Line(s) in Central Nervous System Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
42-MG-BA	CTRP2	-0.1958	1394.2425	-693.2617	49.9502
U-251MG	CTRP2	5.0654	7.2589	4.5067	8.6404
SF539	CTRP2	7.5681	14.0338	3.2374	9.0919
SF268	CTRP2	7.6488	14.3599	3.136	9.366
SNB-75	CTRP2	9.4003	17.9272	2.6128	8.8606
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Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Endometrium Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
HEC-1-A	CTRP2	5.7119	10.4242	3.5716	11.0391
MFE-296	CTRP2	6.4997	12.8612	3.0076	11.8208
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Cancer Drug Sensitivity Data Curated from 12 Cell Line(s) in Haematopoietic And Lymphoid Tissue Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
OCI-AML-5	CTRP2	5.5337	9.387	3.9305	9.9201
U266B1	CTRP2	5.547	9.1912	4.0395	9.4375
F-36P	CTRP2	5.6097	13.3165	2.0401	17.3262
L-428	CTRP2	5.6676	11.6263	2.9336	13.74
M-07e	CTRP2	5.743	11.8631	2.8803	13.799
JJN-3	CTRP2	5.8713	10.5493	3.6461	10.4067
SEM	CTRP2	6.0203	7.2993	5.3967	2.7694
AML-193	CTRP2	6.196	7.3624	5.5071	1.9823
NU-DHL-1	CTRP2	6.295	9.8682	4.3371	6.7062
HuT 78	CTRP2	7.3738	10.5097	4.7985	3.1583
KMS-20	CTRP2	10.6926	34.5969	-4.5676	25.3804
Kasumi-2	CTRP2	12.1868	29.4011	-0.997	16.2345
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⏷ Show the Full List of 12 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Kidney Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
UO-31	CTRP2	6.3304	28.5979	-4.995	32.3689
RCC10RGB	CTRP2	7.1536	10.3207	4.745	3.6551
TUHR14TKB	CTRP2	7.3452	13.8582	3.1615	18.5947
KMRC-3	CTRP2	7.3677	14.5312	2.847	10.9473
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Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Large Intestine Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
COLO 320	CTRP2	5.1949	9.6406	3.4971	12.456
NCI-H747	CTRP2	5.2409	9.6044	3.5573	12.1056
SNU-C4	CTRP2	6.1027	7.7292	5.2501	3.2279
HCT 8	CTRP2	6.9127	10.8836	4.3048	5.7953
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Cancer Drug Sensitivity Data Curated from 14 Cell Line(s) in Lung Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
EKVX	CTRP2	4.4657	10.4959	2.3968	18.5421
KNS-62	CTRP2	4.5907	6.4329	4.3371	10.5934
DMS 53	CTRP2	5.6459	9.888	3.7812	10.3048
DMS 454	CTRP2	5.8939	9.9448	3.9674	9.0214
NCI-H1694	CTRP2	5.9141	8.1892	4.8616	5.229
NCI-H1563	CTRP2	6.3207	8.4701	5.0534	3.6616
HOP-92	CTRP2	6.8912	11.9491	3.7646	16.251
HCC2935	CTRP2	7.8206	14.1969	3.3367	8.3167
NCI-H1651	CTRP2	7.8278	14.6385	3.1276	9.1249
NCI-H1793	CTRP2	8.217	17.6626	1.9314	12.9978
HOP-62	CTRP2	8.5892	16.859	2.5828	10.0748
HCC1438	CTRP2	8.7146	17.1724	2.5177	10.1352
DMS 114	CTRP2	8.8527	35.4621	-6.3945	30.4333
Calu-1	CTRP2	11.1436	20.2667	2.599	6.8876
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⏷ Show the Full List of 14 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Ovary Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
2004	CTRP2	6.5945	11.5256	3.7477	8.6286
COV434	CTRP2	4.8899	9.09	3.4778	13.2359
OC 314	CTRP2	7.063	11.4187	4.1516	6.1884
OVCAR-5	CTRP2	7.5637	10.8948	4.7381	3.1579
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Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Thigh Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
SYO-1	CTRP2	6.7453	19.7611	-0.239	22.401
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Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Oesophagus Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
KYSE-510	CTRP2	5.5226	11.1465	3.0465	13.5867
KYSE-150	CTRP2	6.4178	8.055	5.3308	2.351
KYSE-30	CTRP2	6.4244	10.7629	3.9939	7.9077
TE-14	CTRP2	6.6968	8.5416	5.2887	2.1161
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Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Pancreas Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
Hs 766T	CTRP2	6.5418	8.0436	5.4228	1.7944
Panc 10.05	CTRP2	6.9383	11.7296	3.908	7.3855
Panc 08.13	CTRP2	7.0977	22.5564	-1.3511	24.5611
Capan-2	CTRP2	7.1502	12.1944	3.8352	7.3434
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Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Skin Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
Malme-3M	CTRP2	5.77	10.7057	3.4813	11.2941
IGR-37	CTRP2	7.0138	8.399	5.543	0.8176
Hs 940.T	CTRP2	7.5217	9.2454	5.4431	0.74
Hs 688(A).T	CTRP2	7.5355	8.6003	5.6974	0.1456
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Cancer Drug Sensitivity Data Curated from 8 Cell Line(s) in Soft Tissue Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
TTC-709	CTRP2	4.4646	8.7386	3.2286	15.2722
KYM-1	CTRP2	5.4354	9.3865	3.8421	10.4997
A-204	CTRP2	5.7439	11.0548	3.2845	12.1574
BT-12	CTRP2	6.3883	7.7948	5.4366	1.9627
Tm87-16	CTRP2	6.6428	8.9781	5.0414	3.1915
BT-16	CTRP2	6.7106	8.8515	5.1498	2.6523
SW982	CTRP2	8.2276	9.3439	5.6888	0.0457
GCT	CTRP2	8.2925	15.5041	3.0316	8.8125
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⏷ Show the Full List of 8 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Stomach Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
HGC-27	CTRP2	4.7164	7.6138	3.9932	11.5824
SNU-216	CTRP2	5.5634	19.0705	-0.8737	26.3382
KE-39	CTRP2	5.9524	12.2466	2.8663	13.4329
SNU-601	CTRP2	6.3182	9.7416	4.4187	6.3224
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Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Upper Aerodigestive Tract Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
SCC-4	CTRP2	3.7345	8.9466	2.3998	20.3773
BICR 56	CTRP2	6.2551	7.6767	5.3965	2.3428
BICR 16	CTRP2	6.6625	8.5235	5.2744	2.2198
CAL-33	CTRP2	6.9145	8.6306	5.3843	1.4771
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Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Urinary Tract Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
KMBC-2	CTRP2	5.7622	10.5385	3.5581	10.992
U-BLC1	CTRP2	6.4212	8.71	5.0111	3.6681
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References

1	Circadian rhythm as a therapeutic target. Nat Rev Drug Discov. 2021 Apr;20(4):287-307.
2	Identification of SR8278, a synthetic antagonist of the nuclear heme receptor REV-ERB. ACS Chem Biol. 2011 Feb 18;6(2):131-4.