Details of the Drug

General Information of Drug (ID: DMI25N2)

Drug Name
Pyrvinium pamoate
Synonyms
Pyrvinium embonate; Pyrvinium pamoate (JAN/USP); Pyrvinium pamoate salt hydrate; SCHEMBL62130; Vanquil; Vanquin; Vermitibier; Viprynium embonate; Vipyrvinium embonate; CAS-3546-41-6; CHEBI:8688; CHEMBL1908377; DSSTox_CID_3545; DSSTox_GSID_23545; DSSTox_RID_77072; Dipyrivinium Pamoate; NCGC00017042-01; NSC 223622; Povan (TN)
Indication
Disease Entry ICD 11 Status REF
Middle East Respiratory Syndrome (MERS) 1D64 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C75H70N6O6
Canonical SMILES
CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-])[O-])C(=O)O
InChI
1S/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;/p-2
InChIKey
OOPDAHSJBRZRPH-UHFFFAOYSA-L
Cross-matching ID
PubChem CID
54680693
ChEBI ID
CHEBI:8688
CAS Number
3546-41-6
TTD ID
D0K9QQ

Experimental Cancer Drug Sensitivity Information

Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Breast Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
MCF-7 CTRP1 1.0799 5.0934 0.707 55.0737
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Central Nervous System Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
LN-229 CTRP1 -1.4564 2.7367 -1.578 78.3043
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Endometrium Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HEC-151 CTRP1 -3.4583 -0.2124 -3.4676 93.6069
JHUEM-2 CTRP1 -0.8542 0.9549 -0.8555 81.6972
Cancer Drug Sensitivity Data Curated from 18 Cell Line(s) in Haematopoietic And Lymphoid Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NU-DUL-1 CTRP1 -3.4556 -0.7441 -3.458 95.4863
SU-DHL-5 CTRP1 -3.3441 -2.3286 -3.3441 99.6902
NOMO-1 CTRP1 -1.3991 -0.6973 -1.3991 91.4896
AMO1 CTRP1 -0.4485 2.1029 -0.4686 74.7712
THP-1 CTRP1 -0.2524 0.9009 -0.2524 75.5809
KMS-11 CTRP1 -0.1027 2.1568 -0.1162 71.5608
OCI-AML-3 CTRP1 -0.0932 1.5782 -0.0949 72.6963
SKM-1 CTRP1 -0.018 1.927 -0.0237 71.2044
EJM CTRP1 0.1219 2.6141 0.0931 68.2997
WSU-DLCL2 CTRP1 0.1765 1.3989 0.1763 69.5756
PL21 CTRP1 0.6091 1.6382 0.609 63.5401
U-937 CTRP1 1.076 4.6055 0.8272 55.4803
LP-1 CTRP1 1.1725 2.8695 1.1625 55.3972
RPMI-8226 CTRP1 1.2858 2.564 1.2841 53.8812
OCI-Ly10 CTRP1 1.3987 2.9378 1.3913 52.2568
GDM-1 CTRP1 1.4786 2.2635 1.4786 51.1467
SU-DHL-4 CTRP1 1.4919 3.003 1.4843 50.9452
MOLM-16 CTRP1 1.625 3.3212 1.6072 49.075
⏷ Show the Full List of 18 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Kidney Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
RCC10RGB CTRP1 0.5086 4.5451 0.2233 60.9816
Cancer Drug Sensitivity Data Curated from 27 Cell Line(s) in Large Intestine Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SW480 CTRP1 -4.8404 2.7096 -5.2057 85.118
LS180 CTRP1 -3.3842 0.9831 -3.4402 89.1979
CL-34 CTRP1 -1.551 2.0217 -1.6059 81.3413
HT115 CTRP1 -0.083 1.6636 -0.0854 72.4262
SW620 CTRP1 -0.0462 0.9954 -0.0462 72.8066
CL-40 CTRP1 0.6992 3.9838 0.5455 60.0365
RKO CTRP1 0.9441 3.0676 0.9171 58.2966
NCI-H508 CTRP1 1.0531 2.8668 1.0403 57.0083
SNU-175 CTRP1 1.2899 2.7041 1.2862 53.809
HCT 116 CTRP1 1.5823 2.5009 1.582 49.6665
SNU-C5 CTRP1 1.7177 2.9365 1.715 47.7397
LoVo CTRP1 1.7888 3.3533 1.7745 46.7642
RCM-1 [Human ESC] CTRP1 1.808 3.6152 1.777 46.5426
MDST8 CTRP1 1.9891 4.0715 1.9175 44.1626
COLO 678 CTRP1 2.3502 4.1243 2.2957 39.0351
SNU-1040 CTRP1 2.4711 4.0891 2.4285 37.2513
SNU-81 CTRP1 2.5506 3.9678 2.5247 36.011
SNU-C4 CTRP1 2.5528 3.1716 2.5527 35.8024
HT-55 CTRP1 2.5666 3.7529 2.556 35.6787
KM12 CTRP1 2.6833 4.0612 2.6555 34.1323
LS123 CTRP1 2.8994 5.8651 2.4416 33.8692
SW948 CTRP1 3.0109 4.3255 2.9731 29.5287
HT-29 CTRP1 3.016 8.0736 1.6334 36.9105
SNU-61 CTRP1 3.214 5.058 3.0458 27.5912
CW-2 CTRP1 3.309 5.0038 3.1639 26.0715
HCT 8 CTRP1 3.3659 4.4657 3.333 24.424
COLO 320 CTRP1 4.0472 7.3309 2.9991 22.8404
⏷ Show the Full List of 27 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Liver Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SNU-398 CTRP1 -1.2877 2.7142 -1.3962 77.6676
Hep-G2 CTRP1 2.1752 6.0859 1.5818 43.3862
Cancer Drug Sensitivity Data Curated from 37 Cell Line(s) in Lung Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HCC1833 CTRP1 -4.894 7.5047 -6.5573 75.2396
NCI-H2342 CTRP1 -3.8279 2.4482 -4.0717 84.7851
HCC2108 CTRP1 -2.6508 2.9435 -2.8861 81.2251
HCC1359 CTRP1 -2.0491 4.4036 -2.5296 75.257
NCI-H1781 CTRP1 -1.4756 3.7877 -1.7698 74.9603
SCLC-21H CTRP1 -0.7009 2.2991 -0.7406 75.9608
COR-L51 CTRP1 -0.3372 2.9229 -0.4134 71.4461
NCI-H2122 CTRP1 -0.2761 0.9736 -0.2762 75.7909
NCI-H1105 CTRP1 0.2167 2.0314 0.212 68.3733
NCI-H596 CTRP1 0.2267 1.4631 0.2265 68.8643
SK-LU-1 CTRP1 0.317 2.1942 0.3104 66.9497
CAL-12T CTRP1 0.5678 1.8599 0.5672 64.0454
COLO 699 CTRP1 0.7084 3.0241 0.6749 61.2192
NCI-H460 CTRP1 0.7719 2.391 0.7675 61.0124
NCI-H1963 CTRP1 0.8436 3.1011 0.8102 59.5138
NCI-H841 CTRP1 0.9398 2.6056 0.9333 58.6512
HCC15 CTRP1 1.1808 2.9496 1.1679 55.2579
HCC2935 CTRP1 1.1852 3.2499 1.1553 55.0802
NCI-H1694 CTRP1 1.2412 2.1913 1.241 54.5361
NCI-H1876 CTRP1 1.3378 2.5197 1.3368 53.1484
HCC4006 CTRP1 1.3553 3.7604 1.2834 52.6794
T3M-10 CTRP1 1.4258 4.5221 1.2266 51.6088
NCI-H441 CTRP1 1.5306 3.8933 1.4527 50.3737
NCI-H2081 CTRP1 1.6225 2.7528 1.6212 49.093
NCI-H2141 CTRP1 1.9867 3.0658 1.9849 43.8991
NCI-H2030 CTRP1 2.0582 4.6466 1.8868 43.581
NCI-H2172 CTRP1 2.0699 4.5446 1.9216 43.3438
HCC827 CTRP1 2.0931 4.2991 1.9935 42.8424
NCI-H1836 CTRP1 2.2176 3.3968 2.2122 40.6249
NCI-H3255 CTRP1 2.282 4.9863 2.0479 40.8612
NCI-H1755 CTRP1 2.4751 3.9419 2.4478 37.095
HCC1195 CTRP1 2.828 4.5236 2.7467 32.443
NCI-H2073 CTRP1 2.9163 4.7605 2.7948 31.4714
Sq-1 CTRP1 3.0921 6.1276 2.5489 31.846
COR-L23 CTRP1 3.2374 4.6896 3.1583 26.5998
NCI-H2023 CTRP1 3.5208 5.877 3.1029 25.153
NCI-H2110 CTRP1 5.7493 18.13 -0.9106 32.7041
⏷ Show the Full List of 37 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 20 Cell Line(s) in Ovary Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
COV434 CTRP1 -4.5647 -2.0437 -4.5652 98.4177
OVCAR-4 CTRP1 -1.1675 2.4826 -1.244 77.9396
OVKATE CTRP1 -1.1527 0.8551 -1.1547 84.1558
OVCAR-8 CTRP1 -0.692 2.0461 -0.7165 76.7658
OVK18 CTRP1 -0.4475 1.9616 -0.4619 75.1945
A2780 CTRP1 0.2785 2.2955 0.2685 67.2434
OV-90 CTRP1 0.3327 3.8089 0.1807 63.8109
TYK-nu CTRP1 0.4005 2.5782 0.3827 65.4018
RMUG-S CTRP1 0.5033 2.7798 0.4781 63.9243
IGROV-1 CTRP1 0.6789 3.0711 0.6406 61.5051
JHOC-5 CTRP1 0.8954 4.1199 0.7328 57.8381
EFO-27 CTRP1 1.2921 6.1906 0.5916 52.4967
COV644 CTRP1 1.2927 3.0181 1.2798 53.7142
Caov-3 CTRP1 1.9036 3.3309 1.8936 45.1229
SNU-840 CTRP1 1.9828 4.8814 1.7486 44.7529
OV7 CTRP1 2.4241 4.6096 2.2925 38.4358
OAW42 CTRP1 2.471 4.1954 2.415 37.3359
RMG-I CTRP1 2.7844 4.9263 2.6116 33.6734
COV362 CTRP1 3.2247 5.3318 2.9765 28.0279
JHOM-1 CTRP1 4.4374 12.0034 1.056 31.5687
⏷ Show the Full List of 20 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Skin Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
A-375 CTRP1 -0.7225 1.497 -0.7291 78.8604
SK-MEL-5 CTRP1 -0.5267 0.5011 -0.5267 79.4771
SK-MEL-28 CTRP1 0.3481 0.764 0.3481 67.297
SK-MEL-1 CTRP1 2.1294 3.5897 2.1134 41.9443
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Soft Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HT-1080 CTRP1 1.3699 2.9988 1.3598 52.6515
RKN CTRP1 2.7093 4.301 2.6549 33.9443
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Stomach Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
AGS CTRP1 -4.2428 1.5309 -4.3911 88.0038
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Upper Aerodigestive Tract Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SCC-9 CTRP1 2.5914 4.1213 2.5523 35.5187

References

1 High-Throughput Screening and Identification of Potent Broad-Spectrum Inhibitors of Coronaviruses. J Virol. 2019 May 29;93(12). pii: e00023-19.