Details of the Drug

General Information of Drug (ID: DMD5JYQ)

Drug Name
ZM-336372
Synonyms
ZM 336372; 208260-29-1; ZM336372; ZM-336372; 3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide; N-[5-(3-Dimethylaminobenzamido)-2-methylphenyl]-4-hydroxybenzamide; CHEMBL186526; n-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide; 3-(dimethylamino)-N-{3-[(4-hydroxybenzoyl)amino]-4-methylphenyl}benzamide; 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide; 3-(dimethylamino)-N-[3-(4-hydroxybenzamido)-4-methylphenyl]benzamide; Bio1_001346; compound 1 [PMID: 15454231
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 389.4
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H23N3O3
IUPAC Name
3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide
Canonical SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)
InChIKey
PYEFPDQFAZNXLI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5730
ChEBI ID
CHEBI:95033
CAS Number
208260-29-1
TTD ID
D00NWF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
B-Raf messenger RNA (BRAF mRNA) TT0EOB8 BRAF_HUMAN Inhibitor [1]
LCK tyrosine protein kinase (LCK) TT860QF LCK_HUMAN Inhibitor [1]
Raf messenger RNA (Raf mRNA) TTAN5W2 RAF1_HUMAN Inhibitor [1]
Stress-activated protein kinase 2a (p38 alpha) TTQBR95 MK14_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Raf messenger RNA (Raf mRNA) DTT RAF1 2.12E-04 0.49 2.78
B-Raf messenger RNA (BRAF mRNA) DTT BRAF 1.56E-01 -0.23 -0.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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 7.0156 10.414 6.1005 26.9592
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Central Nervous System Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
GaMG CTRP1 8.1116 9.7009 4.9093 0.2469
LN-229 CTRP1 8.6932 10.4233 7.6355 6.0089
Cancer Drug Sensitivity Data Curated from 6 Cell Line(s) in Endometrium Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HEC-151 CTRP1 6.0793 8.4825 5.848 34.9502
HEC-59 CTRP1 6.372 8.0376 4.7931 2.7122
HEC-108 CTRP1 6.6808 8.2365 4.8714 1.5739
KLE CTRP1 6.8692 9.3083 4.5089 3.7937
JHUEM-2 CTRP1 7.8187 9.3366 7.3981 12.035
Ishikawa (Heraklio) 02 ER- CTRP1 6.3254 9.6456 4.0054 9.3328
⏷ Show the Full List of 6 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 19 Cell Line(s) in Haematopoietic And Lymphoid Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SKM-1 CTRP1 0.1566 31.5462 -10.589 58.2185
KMS-11 CTRP1 4.5184 8.2697 4.202 54.4141
OCI-AML-3 CTRP1 5.7482 8.4227 5.5033 39.5078
BL-70 CTRP1 5.8124 7.5793 4.6469 5.4939
GDM-1 CTRP1 6.4857 9.418 5.9719 31.2218
PL21 CTRP1 6.6412 9.1968 6.2223 28.4781
LP-1 CTRP1 6.8124 9.4008 6.326 26.616
U-937 CTRP1 6.8185 10.7449 5.7518 30.3947
RPMI-8226 CTRP1 6.8954 10.4383 5.9681 28.5756
NU-DUL-1 CTRP1 6.9033 8.2669 6.8038 22.3963
WSU-DLCL2 CTRP1 7.0798 8.0262 7.043 19.4062
THP-1 CTRP1 7.1675 8.6129 6.9958 19.1889
NOMO-1 CTRP1 7.1762 8.5633 7.0208 18.9373
EJM CTRP1 7.2302 9.7096 6.6334 21.7155
AMO1 CTRP1 7.5019 12.065 5.7851 26.2907
SU-DHL-4 CTRP1 7.5564 8.8365 7.338 14.0342
SU-DHL-5 CTRP1 7.8125 8.3024 7.7849 8.8731
MOLM-16 CTRP1 7.9069 8.668 7.7769 8.3363
OCI-Ly10 CTRP1 8.7578 10.5651 7.6139 5.9728
⏷ Show the Full List of 19 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 8.5552 9.861 7.8084 4.9699
Cancer Drug Sensitivity Data Curated from 27 Cell Line(s) in Large Intestine Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
LS180 CTRP1 6.2119 9.4306 5.6745 34.945
SW620 CTRP1 6.2893 10.0288 5.5194 35.1941
COLO 320 CTRP1 6.2903 10.8872 5.1522 36.8572
LoVo CTRP1 6.6666 9.6049 6.0899 29.226
SNU-C5 CTRP1 6.783 9.217 6.3664 26.5065
SW480 CTRP1 6.7872 13.5953 4.371 36.6495
SNU-C4 CTRP1 6.8316 8.9655 6.5119 25.1011
HCT 116 CTRP1 6.8557 10.9046 5.716 30.3755
HT115 CTRP1 6.9428 9.1998 6.5436 24.1537
SNU-81 CTRP1 7.165 9.9865 6.4442 23.5741
RCM-1 [Human ESC] CTRP1 7.3975 10.4296 6.4733 22.0285
KM12 CTRP1 7.4405 9.0201 7.143 16.325
SNU-61 CTRP1 7.4946 10.2015 6.6756 19.8897
SNU-175 CTRP1 7.6005 8.4605 7.5142 12.3494
HCT 8 CTRP1 7.6081 8.8408 7.3916 13.2849
CW-2 CTRP1 7.6848 8.9358 7.4351 12.4717
NCI-H508 CTRP1 7.719 9.4863 7.2297 14.0198
CL-34 CTRP1 7.7697 10.7851 6.6594 18.5835
COLO 678 CTRP1 7.7697 9.3258 7.3537 12.6818
RKO CTRP1 7.8234 11.2055 6.5031 19.5678
SW948 CTRP1 7.9109 9.4602 7.4319 11.2549
HT-55 CTRP1 7.9856 10.006 7.2408 12.5557
SNU-1040 CTRP1 8.0882 9.2441 7.7066 7.9406
HT-29 CTRP1 8.2193 15.0027 4.9595 27.3999
CL-40 CTRP1 8.3296 9.9143 7.5959 7.8022
LS123 CTRP1 8.5583 15.2648 5.1117 25.2287
MDST8 CTRP1 8.6695 9.9322 7.8599 4.0975
⏷ Show the Full List of 27 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
JHH-6 CTRP1 6.6292 7.7583 5.0394 0.6661
SNU-398 CTRP1 7.4443 8.7968 7.2327 15.5701
Hep-G2 CTRP1 7.8427 9.566 7.3154 12.6229
SNU-449 CTRP1 8.4053 15.0868 2.7896 12.2225
Cancer Drug Sensitivity Data Curated from 44 Cell Line(s) in Lung Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SCLC-21H CTRP1 5.18 7.8455 5.0227 46.6732
NCI-H2081 CTRP1 5.1845 9.7699 4.4462 47.4075
NCI-H1836 CTRP1 5.4701 11.1718 4.1835 45.3864
COLO 668 CTRP1 5.5106 7.0325 4.6875 6.2287
NCI-H1930 CTRP1 5.5546 6.8811 4.7979 5.0665
HCC2108 CTRP1 5.5668 8.5806 5.2608 42.1283
LXF 289 CTRP1 6.2556 9.5598 3.9979 9.6206
NCI-H1963 CTRP1 6.3784 8.1488 6.2597 30.0117
NCI-H1435 CTRP1 6.4332 11.379 3.2365 14.9541
HCC4006 CTRP1 6.5138 9.6023 5.9294 31.2995
NCI-H2286 CTRP1 6.6354 8.6058 4.6891 2.9358
COLO 699 CTRP1 6.7239 10.0123 5.9797 29.5823
NCI-H2342 CTRP1 6.7486 11.2377 5.4557 32.4663
RERF-LC-KJ CTRP1 6.7992 8.4446 4.8432 1.5731
NCI-H1694 CTRP1 6.8144 11.7681 5.2727 32.9718
NCI-H596 CTRP1 6.8554 9.8835 6.1711 27.4536
NCI-H2141 CTRP1 6.9152 13.4625 4.5559 35.3432
NCI-H1915 CTRP1 7.0607 8.973 4.7525 1.7553
HCC1833 CTRP1 7.1509 10.25 6.3111 24.6565
CAL-12T CTRP1 7.1739 10.1283 6.3895 23.9378
NCI-H441 CTRP1 7.1793 10.3327 6.302 24.5584
NCI-H1876 CTRP1 7.2402 13.9798 4.6042 33.4798
NCI-H1105 CTRP1 7.3978 8.7966 7.1828 16.2584
HCC1195 CTRP1 7.4822 13.2978 5.161 29.8473
NCI-H2122 CTRP1 7.4932 11.7885 5.9121 25.5272
NCI-H841 CTRP1 7.5014 10.9767 6.3134 22.6797
HCC2935 CTRP1 7.6453 11.5522 6.1689 22.9789
SK-LU-1 CTRP1 7.6577 9.9468 6.9552 16.693
Sq-1 CTRP1 7.7536 9.672 7.1782 14.2782
COR-L51 CTRP1 7.7579 10.4587 6.807 17.4233
NCI-H1755 CTRP1 7.8155 9.6022 7.2718 13.144
T3M-10 CTRP1 7.873 9.0118 7.599 10.0187
HCC827 CTRP1 7.9396 9.726 7.3331 11.9724
COR-L23 CTRP1 7.95 8.7897 7.7738 8.1081
NCI-H2172 CTRP1 8.0372 12.2823 6.1609 21.1117
HCC15 CTRP1 8.0547 15.8938 4.3741 30.6243
NCI-H2073 CTRP1 8.0552 9.808 7.4023 10.7927
NCI-H1781 CTRP1 8.1134 8.7939 7.9411 5.7713
NCI-H3255 CTRP1 8.1743 8.9916 7.9101 5.7169
HCC1359 CTRP1 8.2441 8.8743 8.0333 4.2809
NCI-H2030 CTRP1 8.2716 9.5049 7.7491 6.6829
NCI-H460 CTRP1 8.3086 8.9607 8.0516 3.8043
NCI-H2023 CTRP1 8.3936 10.8496 7.1828 11.2224
NCI-H2110 CTRP1 9.1209 19.0891 3.6573 29.2074
⏷ Show the Full List of 44 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 23 Cell Line(s) in Ovary Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
OVCAR-4 CTRP1 5.7773 11.3495 4.4232 42.7159
OVCAR-8 CTRP1 6.315 10.2174 5.4674 35.2699
OV-90 CTRP1 6.4838 13.0714 4.3335 38.4491
COV434 CTRP1 6.5707 10.0401 5.8088 31.6549
RMUG-S CTRP1 6.7691 10.4951 5.8146 30.3287
OVK18 CTRP1 6.7993 8.3551 6.6685 24.1165
JHOS-4 CTRP1 6.8387 8.6256 4.7877 1.8692
COV318 CTRP1 6.9813 9.0921 4.6633 2.4633
JHOM-1 CTRP1 7.0275 9.0869 6.6774 22.5835
A2780 CTRP1 7.0972 11.9628 5.4533 30.4149
RMG-I CTRP1 7.1335 9.9082 6.4469 23.7385
JHOC-5 CTRP1 7.2786 8.5575 7.1342 17.3918
OVMANA CTRP1 7.5129 12.4981 3.4355 10.2629
COV644 CTRP1 7.611 10.2157 6.7826 18.3882
OVKATE CTRP1 7.7322 9.1485 7.3945 12.5414
SNU-840 CTRP1 7.7387 9.6297 7.1832 14.3134
TYK-nu CTRP1 7.8104 13.2914 5.4589 26.6677
EFO-27 CTRP1 7.8182 9.273 7.4266 11.7931
IGROV-1 CTRP1 7.9362 13.1491 5.6407 25.0126
OAW42 CTRP1 8.3144 8.8921 8.0907 3.4275
Caov-3 CTRP1 8.3579 9.6281 7.7631 6.1747
OV7 CTRP1 8.551 11.2384 7.118 11.1457
COV362 CTRP1 9.4553 12.9336 6.9564 9.3252
⏷ Show the Full List of 23 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Pancreas Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
PaTu 8902 CTRP1 6.2209 7.6925 4.8609 2.5262
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Prostate Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
PaCa-3 CTRP1 5.8988 8.2318 4.39 7.4592
Cancer Drug Sensitivity Data Curated from 5 Cell Line(s) in Skin Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
Hs 852.T CTRP1 6.5689 9.4541 4.2607 6.4964
SK-MEL-1 CTRP1 7.637 11.2101 6.3283 21.8555
SK-MEL-5 CTRP1 7.6596 10.7011 6.5966 19.6535
A-375 CTRP1 7.7099 11.998 6.0092 23.762
SK-MEL-28 CTRP1 9.4919 10.3728 8.1279 0.3815
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Soft Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
RKN CTRP1 7.7715 12.3873 5.8726 24.3607
HT-1080 CTRP1 8.3495 10.2212 7.4596 8.9417
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Stomach Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
MKN74 CTRP1 6.6095 10.0069 4.0255 8.2969
AGS CTRP1 6.9926 8.7588 6.758 22.1695
SNG-M CTRP1 7.6039 13.4979 3.0234 12.8222
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 8.1568 8.9436 7.9157 5.7585

References

1 The selectivity of protein kinase inhibitors: a further update. Biochem J. 2007 Dec 15;408(3):297-315.
2 A novel series of p38 MAP kinase inhibitors for the potential treatment of rheumatoid arthritis. Bioorg Med Chem Lett. 2004 Nov 1;14(21):5383-7.