Details of the Drug

General Information of Drug (ID: DMKGNXT)

Drug Name
m3M3FBS
Synonyms
m-3M3FBS; 200933-14-8; 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide; 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide; 2,4,6-Trimethyl-N-(3-trifluoromethyl-phenyl)-benzenesulfonamide; 2,4,6-Trimethyl-N-(3-(trifluoromethyl)phenyl)benzenesulfonamide; MFCD00095824; Phospholipase C Activator, m-3M3FBS; N-(3-Trifluoromethylphenyl)-2,4,6-trimethylbenzenesulfonamide; 2,4,6-Trimethyl-N-(m-3-trifluoromethylphenyl)benzenesulfonamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C16H16F3NO2S
Canonical SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C
InChI
1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3
InChIKey
ZIIUUSVHCHPIQD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
761523
ChEBI ID
CHEBI:92167
CAS Number
200933-14-8
TTD ID
D0W1YI

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 6.5375 9.7115 5.773 27.4488
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Central Nervous System Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SF295 CTRP1 4.8228 5.8675 4.4442 6.6016
GaMG CTRP1 6.9858 8.6099 4.5197 0.7515
LN-229 CTRP1 7.4936 12.5496 5.3267 25.123
Cancer Drug Sensitivity Data Curated from 10 Cell Line(s) in Endometrium Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
MFE-319 CTRP1 4.419 7.0678 3.4816 17.018
HEC-6 CTRP1 4.5607 5.4925 4.3567 8.7472
HEC-251 CTRP1 4.6187 5.4706 4.4263 7.8308
HEC-265 CTRP1 4.7741 5.6977 4.4794 6.534
HEC-108 CTRP1 4.933 6.3986 4.2814 7.5456
HEC-59 CTRP1 5.4807 6.6678 4.573 2.9102
KLE CTRP1 5.898 8.3388 4.0545 6.0977
HEC-151 CTRP1 6.5046 7.7176 6.4421 22.6629
JHUEM-2 CTRP1 7.435 8.114 7.3622 9.4636
Ishikawa (Heraklio) 02 ER- CTRP1 4.7207 5.5201 4.5089 6.5607
⏷ Show the Full List of 10 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 24 Cell Line(s) in Haematopoietic And Lymphoid Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
Ku812 CTRP1 4.4813 5.1886 4.3888 8.9586
KE-97 CTRP1 4.6059 5.3268 4.4722 7.5223
BL-70 CTRP1 4.732 5.3896 4.5783 5.9067
HT CTRP1 4.8528 5.9632 4.4253 6.6245
P3HR-1 CTRP1 5.2374 6.5125 4.475 4.5685
MC116 CTRP1 6.3848 7.1889 4.8004 0.1377
KMS-11 CTRP1 6.9728 8.4101 6.762 17.1411
OCI-AML-3 CTRP1 7.047 8.1303 6.9343 15.3065
AMO1 CTRP1 7.2385 7.9459 7.1917 12.0665
EJM CTRP1 7.2522 9.5028 6.5895 16.9758
SKM-1 CTRP1 7.2796 7.912 7.2436 11.3981
WSU-DLCL2 CTRP1 7.3328 7.8882 7.3057 10.5715
GDM-1 CTRP1 7.3377 8.9719 6.9179 13.7167
RPMI-8226 CTRP1 7.4282 8.4282 7.2436 10.4618
NOMO-1 CTRP1 7.5523 8.0721 7.5023 7.6133
PL21 CTRP1 7.6055 10.2156 6.5828 15.2398
U-937 CTRP1 7.7025 9.7085 6.921 11.8242
LP-1 CTRP1 7.7046 8.4433 7.5267 6.4985
SU-DHL-5 CTRP1 7.7181 8.5128 7.5097 6.569
THP-1 CTRP1 7.7881 8.7007 7.4916 6.3572
SU-DHL-4 CTRP1 8.0337 8.8625 7.636 3.9175
MOLM-16 CTRP1 8.7204 10.2551 7.4509 3.2707
NU-DUL-1 CTRP1 9.3011 10.8967 7.4927 1.7238
OCI-Ly10 CTRP1 10.9086 12.5797 7.5228 0.2533
⏷ Show the Full List of 24 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Kidney Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
VMRC-RCW CTRP1 5.0909 7.1486 4.0406 9.0384
RCC10RGB CTRP1 7.7865 8.62 7.5283 6.0441
Cancer Drug Sensitivity Data Curated from 37 Cell Line(s) in Large Intestine Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SW48 CTRP1 3.732 5.6218 3.4258 21.3183
LS513 CTRP1 3.9786 5.4983 3.7363 17.3113
COLO205 CTRP1 4.1372 5.4008 3.9426 14.6723
SK-CO-1 CTRP1 4.3072 5.4298 4.1141 12.2464
GP2d CTRP1 4.3872 5.4854 4.1773 11.2501
SNU-C2A CTRP1 4.5045 5.6863 4.2148 10.2633
LS411N CTRP1 4.7074 5.9012 4.3181 8.2888
DLD-1 CTRP1 4.829 6.5382 4.1199 9.463
C2BBe1 CTRP1 5.1647 7.6318 3.8595 10.3508
SW403 CTRP1 5.2825 7.1994 4.1687 7.1405
SNU-C5 CTRP1 6.1632 7.9035 6.0303 28.0521
CW-2 CTRP1 6.2997 7.9482 6.1681 26.103
SW480 CTRP1 6.4949 7.6867 6.4374 22.7642
SNU-81 CTRP1 6.5437 8.6234 6.2229 24.089
LS180 CTRP1 6.7691 7.5426 6.7514 18.5538
SW620 CTRP1 6.775 7.6315 6.7471 18.544
KM12 CTRP1 7.1343 8.7251 6.8134 15.7501
HCT 116 CTRP1 7.1906 8.3568 7.016 13.7542
SNU-61 CTRP1 7.1919 8.3145 7.0324 13.6137
SNU-175 CTRP1 7.2028 9.821 6.3918 18.892
COLO 320 CTRP1 7.3135 9.3362 6.7276 15.4741
LS123 CTRP1 7.4027 8.0395 7.3479 9.7843
HT-55 CTRP1 7.4984 8.0709 7.4438 8.4174
SNU-C4 CTRP1 7.5209 8.1834 7.4336 8.355
LoVo CTRP1 7.5443 8.5185 7.3286 9.0776
HCT 8 CTRP1 7.5769 7.9948 7.5489 7.0926
NCI-H508 CTRP1 7.6115 8.2015 7.5255 7.0547
COLO 678 CTRP1 7.6611 9.026 7.2139 9.4399
HT115 CTRP1 7.6663 8.2158 7.5793 6.2838
RKO CTRP1 7.6842 8.349 7.5459 6.453
RCM-1 [Human ESC] CTRP1 7.7059 8.1817 7.6344 5.5955
SW948 CTRP1 7.7131 8.8408 7.3523 7.9608
HT-29 CTRP1 7.718 8.2385 7.6261 5.5899
SNU-1040 CTRP1 7.8178 8.555 7.5894 5.348
MDST8 CTRP1 8.2074 9.3128 7.551 3.9993
CL-34 CTRP1 8.4625 9.9267 7.4363 4.1454
CL-40 CTRP1 9.8305 11.2731 7.5821 0.6111
⏷ Show the Full List of 37 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Liver Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SNU-449 CTRP1 5.2395 7.2379 4.116 7.7743
JHH-6 CTRP1 5.2462 7.3028 4.0889 7.9905
SNU-398 CTRP1 6.5536 8.0728 6.4124 22.5609
Hep-G2 CTRP1 8.1268 9.1248 7.5815 4.0304
Cancer Drug Sensitivity Data Curated from 91 Cell Line(s) in Lung Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NCI-H2029 CTRP1 3.1803 4.5933 3.1145 27.3142
COR-L51 CTRP1 3.1853 27.3693 -5.9077 53.0899
NCI-H1573 CTRP1 3.5781 4.8448 3.4959 21.7602
NCI-H810 CTRP1 3.8186 4.9087 3.7432 18.2759
SHP-77 CTRP1 4.1081 5.3445 3.9313 14.9431
NCI-H1568 CTRP1 4.1529 5.6172 3.8766 15.1172
NCI-H1048 CTRP1 4.1727 5.1709 4.059 13.5221
VMRC-LCD CTRP1 4.1911 5.3436 4.0212 13.7071
NCI-H1793 CTRP1 4.2478 5.5816 3.9914 13.6093
COR-L88 CTRP1 4.2809 5.1135 4.1943 11.7673
NCI-H522 CTRP1 4.2837 5.6366 4.0068 13.2712
NCI-H1666 CTRP1 4.3286 5.1871 4.2235 11.2334
NCI-H1373 CTRP1 4.372 5.455 4.1733 11.3735
Lu-99 CTRP1 4.4041 5.8838 4.0247 12.4392
HCC78 CTRP1 4.4175 6.0324 3.9711 12.8258
COLO 668 CTRP1 4.4778 5.726 4.17 10.7935
NCI-H727 CTRP1 4.493 5.6913 4.2008 10.4467
ChaGo-K-1 CTRP1 4.5102 6.0669 4.0473 11.6739
NCI-H23 CTRP1 4.511 5.9283 4.1123 11.1072
NCI-H2286 CTRP1 4.5367 5.2635 4.4224 8.3459
NCI-H661 CTRP1 4.6035 6.1739 4.0878 10.8377
NCI-H1355 CTRP1 4.6263 5.6542 4.3531 8.4119
DMS 273 CTRP1 4.627 5.5585 4.3966 8.0359
NCI-H358 CTRP1 4.6364 6.2508 4.0824 10.7193
Calu-6 CTRP1 4.7199 5.7064 4.4224 7.3124
HCC44 CTRP1 4.7641 5.7452 4.4472 6.8681
KNS-62 CTRP1 4.7665 5.5407 4.5455 5.9985
COR-L279 CTRP1 4.7826 5.6796 4.4963 6.3429
A-549 CTRP1 4.8119 6.1623 4.2899 8.0252
NCI-H2405 CTRP1 4.8289 5.9435 4.4129 6.8494
HARA [Human squamous cell lung carcinoma] CTRP1 4.8314 5.9234 4.425 6.73
NCI-H2009 CTRP1 4.8552 6.2081 4.3067 7.6717
NCI-H1299 CTRP1 4.8756 6.5262 4.1674 8.8252
NCI-H82 CTRP1 4.8815 6.0059 4.4305 6.443
NCI-H1975 CTRP1 4.8913 6.1767 4.3548 7.0746
BEN CTRP1 4.8988 5.9186 4.4893 5.8365
NCI-H1944 CTRP1 4.9125 6.5069 4.2095 8.2828
RERF-LC-KJ CTRP1 4.9202 5.7956 4.5694 5.021
NCI-H1437 CTRP1 4.9324 6.257 4.3514 6.9192
Calu-3 CTRP1 4.9649 6.2724 4.3721 6.59
EPLC-272H CTRP1 5.0099 6.4629 4.3156 6.9039
LC-1/sq-SF CTRP1 5.0186 6.6844 4.2123 7.7975
NCI-H1792 CTRP1 5.0198 5.9784 4.5662 4.6048
NCI-H1915 CTRP1 5.0323 5.89 4.621 4.0583
LXF 289 CTRP1 5.047 6.2846 4.4361 5.6621
Lu-65 CTRP1 5.1122 6.4135 4.4255 5.4915
LCLC-103H CTRP1 5.123 6.2264 4.5276 4.5295
NCI-H650 CTRP1 5.1513 6.6231 4.3524 5.9952
EBC-1 CTRP1 5.2017 7.3362 4.0369 8.6273
NCI-H2126 CTRP1 5.2613 6.3757 4.5606 3.7199
HCC33 CTRP1 5.3746 6.7918 4.4393 4.4051
NCI-H1435 CTRP1 5.4119 7.3355 4.1997 6.3967
NCI-H1930 CTRP1 5.7398 8.7239 3.7582 9.1192
LCLC-97TM1 CTRP1 5.7959 8.057 4.1207 5.8398
NCI-H2141 CTRP1 5.9517 7.1261 5.9314 30.2484
NCI-H1836 CTRP1 6.0802 7.9848 5.9193 29.4319
NCI-H2342 CTRP1 6.155 7.2252 6.1358 27.3368
NCI-H1876 CTRP1 6.2478 8.8821 5.8093 29.0656
NCI-H2081 CTRP1 6.4402 7.9429 6.3226 23.9971
NCI-H841 CTRP1 6.7016 8.4021 6.4715 21.1479
HCC2935 CTRP1 6.7263 9.0116 6.2669 22.6147
NCI-H1105 CTRP1 6.7433 10.6371 5.5581 27.6461
HCC1833 CTRP1 6.7902 8.2917 6.6044 19.5395
DV-90 CTRP1 6.9286 8.7886 4.4269 1.2598
NCI-H1694 CTRP1 7.0604 8.3377 6.8821 15.6347
NCI-H1963 CTRP1 7.1644 10.8866 5.8446 23.348
HCC4006 CTRP1 7.2033 10.7818 5.932 22.5033
COLO 699 CTRP1 7.3511 8.766 7.0223 12.7557
NCI-H2073 CTRP1 7.3875 9.5836 6.6839 15.4587
HCC1359 CTRP1 7.4004 7.9947 7.3567 9.732
NCI-H2023 CTRP1 7.4057 8.2032 7.302 10.1251
HCC15 CTRP1 7.4336 8.1458 7.3509 9.5608
CAL-12T CTRP1 7.4339 8.4201 7.2529 10.3513
NCI-H596 CTRP1 7.4378 8.1252 7.3619 9.4476
NCI-H441 CTRP1 7.4672 8.0672 7.4109 8.8757
NCI-H3255 CTRP1 7.5345 8.4486 7.3476 8.9749
T3M-10 CTRP1 7.5376 8.2041 7.4446 8.1623
HCC2108 CTRP1 7.5394 8.6682 7.2586 9.6982
HCC1195 CTRP1 7.5425 8.1325 7.4736 7.9009
NCI-H2122 CTRP1 7.5446 8.1183 7.4803 7.8346
SK-LU-1 CTRP1 7.5689 8.2628 7.4573 7.8674
NCI-H2172 CTRP1 7.6902 8.5974 7.4432 7.2917
NCI-H1755 CTRP1 7.7013 8.8025 7.359 7.9627
HCC827 CTRP1 7.7106 9.1652 7.1941 9.3664
Sq-1 CTRP1 7.7433 8.8718 7.3667 7.6811
SCLC-21H CTRP1 7.7562 9.2117 7.2142 8.966
NCI-H2030 CTRP1 7.9557 9.0618 7.4691 5.7598
NCI-H460 CTRP1 8.0536 8.8231 7.6724 3.5058
COR-L23 CTRP1 8.0667 9.0695 7.5601 4.4635
NCI-H1781 CTRP1 8.6338 9.9832 7.5232 2.9028
NCI-H2110 CTRP1 8.7765 13.5643 5.8789 15.983
⏷ Show the Full List of 91 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Oesophagus Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
KYSE-140 CTRP1 4.5946 5.5585 4.3634 8.4987
KYSE-410 CTRP1 5.1314 6.2972 4.499 4.7536
KYSE-450 CTRP1 5.547 7.9218 4.0111 7.5901
Cancer Drug Sensitivity Data Curated from 26 Cell Line(s) in Ovary Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HEY A8 CTRP1 4.7564 6.2983 4.1721 9.3385
SK-OV-3 CTRP1 5.2858 7.2712 4.1357 7.423
JHOS-4 CTRP1 5.3419 6.9505 4.3374 5.4208
COV318 CTRP1 5.3658 6.5162 4.5675 3.3086
OVMANA CTRP1 5.6579 7.4974 4.2955 4.7589
EFO-21 CTRP1 5.7143 8.6376 3.782 9.0031
OVCAR-4 CTRP1 6.0794 7.4474 6.0296 28.6382
COV434 CTRP1 6.259 7.8754 6.1415 26.5762
OVCAR-8 CTRP1 6.5193 7.7666 6.4485 22.5158
OVKATE CTRP1 6.5432 7.9161 6.4414 22.4085
RMUG-S CTRP1 6.5547 9.5885 5.8443 26.843
RMG-I CTRP1 6.8103 8.6211 6.51 20.1655
OVK18 CTRP1 7.1274 8.6442 6.8389 15.5798
JHOM-1 CTRP1 7.2894 10.191 6.2991 19.1949
OV-90 CTRP1 7.3295 7.997 7.2789 10.7961
TYK-nu CTRP1 7.4481 7.9795 7.4121 8.9924
A2780 CTRP1 7.5208 8.7293 7.2124 10.195
COV362 CTRP1 7.5311 8.5252 7.312 9.2931
SNU-840 CTRP1 7.549 8.7447 7.2342 9.8539
JHOC-5 CTRP1 7.5738 8.1254 7.51 7.4146
COV644 CTRP1 7.5851 8.1721 7.507 7.367
IGROV-1 CTRP1 7.7729 9.228 7.2217 8.8194
OV7 CTRP1 7.7937 8.649 7.5216 6.0655
Caov-3 CTRP1 7.8469 8.7292 7.5341 5.6879
EFO-27 CTRP1 8.5524 9.9688 7.4773 3.5172
OAW42 CTRP1 9.7482 10.721 7.7472 0.1378
⏷ Show the Full List of 26 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 10 Cell Line(s) in Pancreas Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
KP-3 CTRP1 4.3167 6.3502 3.7242 15.4846
HuP-T4 CTRP1 4.3535 5.4623 4.1508 11.6687
Capan-2 CTRP1 4.5669 6.0985 4.0881 11.023
SUIT-2 CTRP1 4.875 5.8951 4.4791 6.0396
QGP-1 CTRP1 4.9435 5.8474 4.5648 4.9552
Panc 10.05 CTRP1 5.0975 6.2734 4.4835 5.0278
HPAC CTRP1 5.2305 6.9672 4.2437 6.6651
Panc 03.27 CTRP1 5.5182 7.588 4.1536 6.4383
PaTu 8902 CTRP1 5.5535 6.946 4.4889 3.4149
CFPAC-1 CTRP1 5.8653 8.7389 3.8399 8.0164
⏷ Show the Full List of 10 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Pleura Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
MSTO-211H CTRP1 4.5747 5.5828 4.3323 8.8737
NCI-H28 CTRP1 4.6401 6.1992 4.1108 10.4513
NCI-H2052 CTRP1 4.8667 6.4528 4.1959 8.6102
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Prostate Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
PaCa-3 CTRP1 4.873 5.9737 4.4386 6.4101
Cancer Drug Sensitivity Data Curated from 9 Cell Line(s) in Skin Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
Hs 852.T CTRP1 4.6385 5.6403 4.3716 8.1865
G-361 CTRP1 4.7425 5.7887 4.4056 7.3427
Hs 936.T CTRP1 4.8221 5.5562 4.5931 5.2935
COLO 741 CTRP1 5.126 6.6668 4.3101 6.4757
Hs 944.T CTRP1 5.1837 6.7039 4.3379 5.9991
SK-MEL-5 CTRP1 7.7276 8.2579 7.6286 5.5123
A-375 CTRP1 7.7716 8.4202 7.6055 5.456
SK-MEL-1 CTRP1 7.9115 8.5318 7.6906 3.9848
SK-MEL-28 CTRP1 7.9841 8.5827 7.7323 3.2684
⏷ Show the Full List of 9 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Soft Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
G-401 CTRP1 4.4988 6.7745 3.699 14.76
RKN CTRP1 7.3417 7.9576 7.3014 10.5441
HT-1080 CTRP1 7.4219 8.0212 7.3736 9.4604
Cancer Drug Sensitivity Data Curated from 7 Cell Line(s) in Stomach Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NUGC-4 CTRP1 4.9744 6.8653 4.0844 9.1351
MKN7 CTRP1 5.1124 6.4856 4.3896 5.8141
Fu97 CTRP1 5.2927 7.0803 4.2358 6.5038
SH-10-TC CTRP1 5.915 7.8772 4.2833 4.1379
MKN74 CTRP1 6.0452 9.9344 3.3862 11.1741
AGS CTRP1 7.117 7.9166 7.0661 13.8321
SNG-M CTRP1 5.838 7.8459 4.2489 4.6329
⏷ Show the Full List of 7 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Upper Aerodigestive Tract Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HSC-2 CTRP1 4.6197 5.4527 4.4349 7.7532
SCC-9 CTRP1 7.8077 8.4502 7.6283 5.0642
Cancer Drug Sensitivity Data Curated from 5 Cell Line(s) in Urinary Tract Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HT-1376 CTRP1 3.9937 5.5836 3.7204 17.3481
RT-4 CTRP1 4.3868 5.5998 4.1301 11.6448
KMBC-2 CTRP1 4.7651 6.797 3.9343 11.4114
5637 CTRP1 5.0701 6.723 4.2362 7.3675
UM-UC-3 CTRP1 5.1465 6.6904 4.3149 6.351

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: 5097).