Natural Product: NPC157213

Natural Product ID:  NPC157213
Common Name:   Mequinol
IUPAC Name:   4-methoxyphenol
Synonyms:   4-Hydroxyanisole; 4-Methoxyphenol; 4HA; BMS-181158; HQMME; Hydroxyquinone Methyl Ether; Leucobasal; Leucodine B; Mechinolum; Menthyl Anthranilate; Mequinol; Novo-Dermoquinona; p-Guaiacol; p-Hydroxyanisole
Molecular Formula:   C7H8O2
Standard InCHIKey:  NWVVVBRKAWDGAB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
Canonical SMILES:  COc1ccc(cc1)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCMSP*
NPO7513 Cannabis sativa Species Cannabaceae Eukaryota TCMSP*
NPO10477 Bomboo juice NA NA NA TCMSP*
NPO30270 Cordyceps sinensis Species Cordycipitaceae Eukaryota mycelium PMID[21848266]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT137 Cell Line L1210 Mus musculus Activity < 15 % 16279782
NPT2 Others Unspecified Activity = 61.3 % 19601648
NPT2 Others Unspecified Activity = 78.7 % 19601648
NPT2 Others Unspecified Activity = 60 % 19601648
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 4775.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6309.6 nM PubChem BioAssay data set
NPT696 Individual Protein UDP-glucuronosyltransferase 2A1 Homo sapiens Activity = 520 pm/min/mg 10836148
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 31332.86 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 57411.65 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 44055.49 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 44055.49 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 47424.2 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 42756.29 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 77624.71 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 68076.94 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 44771.33 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 74301.91 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 40831.94 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 35399.73 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 55718.57 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 89742.88 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 95279.62 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 42657.95 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 53456.44 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 48977.88 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 28641.78 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 24547.09 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 54954.09 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 33573.76 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 48417.24 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 97051 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 24774.22 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 94406.09 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT577 Cell Line RXF 631 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 92044.96 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 60255.96 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 794.3 nM PubChem BioAssay data set
NPT103 Individual Protein Nuclear receptor ROR-gamma Homo sapiens Potency 42163.2 nM PubChem BioAssay data set
NPT1365 Organism Trichoplusia ni Trichoplusia ni Activity = -26.5 % 18020407
NPT2 Others Unspecified Potency 29855.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18356.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25929 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 20596.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33405.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17782.8 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 21689.9 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 58899.4 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 26601.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27535.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 47186.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11882.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 74150 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 66086.3 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 595.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43641.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 421.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7415 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 52944 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 26534.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 15848.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15.5 nM PubChem BioAssay data set

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC157213 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9286 High Similarity NPC23837
0.8916 High Similarity NPC124576
0.8817 High Similarity NPC307039
0.8791 High Similarity NPC16649
0.8791 High Similarity NPC114325
0.8675 High Similarity NPC65517
0.8384 Intermediate Similarity NPC233320
0.8384 Intermediate Similarity NPC124712
0.8333 Intermediate Similarity NPC206876
0.8283 Intermediate Similarity NPC232654
0.8261 Intermediate Similarity NPC318429
0.8229 Intermediate Similarity NPC314803
0.8193 Intermediate Similarity NPC100980
0.8152 Intermediate Similarity NPC302546
0.8119 Intermediate Similarity NPC241549
0.8081 Intermediate Similarity NPC474603
0.8081 Intermediate Similarity NPC12987
0.8058 Intermediate Similarity NPC275627
0.8043 Intermediate Similarity NPC47422
0.8041 Intermediate Similarity NPC100870
0.8 Intermediate Similarity NPC307875
0.8 Intermediate Similarity NPC125306
0.8 Intermediate Similarity NPC17537
0.798 Intermediate Similarity NPC305205
0.7957 Intermediate Similarity NPC259134
0.7957 Intermediate Similarity NPC8002
0.7957 Intermediate Similarity NPC177844
0.7957 Intermediate Similarity NPC99886
0.7921 Intermediate Similarity NPC113457
0.7921 Intermediate Similarity NPC473653
0.79 Intermediate Similarity NPC130817
0.7885 Intermediate Similarity NPC266932
0.7879 Intermediate Similarity NPC51633
0.7872 Intermediate Similarity NPC71853
0.781 Intermediate Similarity NPC474920
0.781 Intermediate Similarity NPC98372
0.78 Intermediate Similarity NPC192596
0.7789 Intermediate Similarity NPC321956
0.7788 Intermediate Similarity NPC247871
0.7767 Intermediate Similarity NPC201959
0.7767 Intermediate Similarity NPC75440
0.7753 Intermediate Similarity NPC204932
0.7745 Intermediate Similarity NPC164576
0.7723 Intermediate Similarity NPC108875
0.7723 Intermediate Similarity NPC2518
0.7723 Intermediate Similarity NPC38079
0.7708 Intermediate Similarity NPC29373
0.7692 Intermediate Similarity NPC246358
0.7692 Intermediate Similarity NPC7097
0.7692 Intermediate Similarity NPC233731
0.7692 Intermediate Similarity NPC36108
0.7685 Intermediate Similarity NPC290470
0.7685 Intermediate Similarity NPC154256
0.7677 Intermediate Similarity NPC132725
0.767 Intermediate Similarity NPC251306
0.7667 Intermediate Similarity NPC270094
0.7664 Intermediate Similarity NPC142319
0.7647 Intermediate Similarity NPC8302
0.7647 Intermediate Similarity NPC288760
0.7647 Intermediate Similarity NPC227255
0.7647 Intermediate Similarity NPC470393
0.7629 Intermediate Similarity NPC471581
0.7619 Intermediate Similarity NPC94045
0.7609 Intermediate Similarity NPC124436
0.7593 Intermediate Similarity NPC301321
0.7593 Intermediate Similarity NPC473718
0.7576 Intermediate Similarity NPC175298
0.7556 Intermediate Similarity NPC4154
0.7547 Intermediate Similarity NPC78918
0.7547 Intermediate Similarity NPC173746
0.7547 Intermediate Similarity NPC156840
0.7547 Intermediate Similarity NPC90520
0.7547 Intermediate Similarity NPC257124
0.7547 Intermediate Similarity NPC296920
0.7547 Intermediate Similarity NPC139617
0.7547 Intermediate Similarity NPC195873
0.7547 Intermediate Similarity NPC8547
0.7527 Intermediate Similarity NPC150837
0.7527 Intermediate Similarity NPC286904
0.7527 Intermediate Similarity NPC248817
0.75 Intermediate Similarity NPC470837
0.75 Intermediate Similarity NPC227894
0.75 Intermediate Similarity NPC194034
0.75 Intermediate Similarity NPC312304
0.75 Intermediate Similarity NPC288923
0.75 Intermediate Similarity NPC171843
0.7477 Intermediate Similarity NPC280606
0.7474 Intermediate Similarity NPC104216
0.7453 Intermediate Similarity NPC168657
0.7453 Intermediate Similarity NPC46844
0.7447 Intermediate Similarity NPC197783
0.7429 Intermediate Similarity NPC169450
0.7426 Intermediate Similarity NPC253746
0.7426 Intermediate Similarity NPC13755
0.7419 Intermediate Similarity NPC265146
0.7407 Intermediate Similarity NPC141003
0.7407 Intermediate Similarity NPC35344
0.7404 Intermediate Similarity NPC41594
0.7404 Intermediate Similarity NPC30416
0.74 Intermediate Similarity NPC470161
0.74 Intermediate Similarity NPC313918
0.74 Intermediate Similarity NPC475078
0.74 Intermediate Similarity NPC88420
0.74 Intermediate Similarity NPC152097
0.7387 Intermediate Similarity NPC283616
0.7368 Intermediate Similarity NPC307235
0.7368 Intermediate Similarity NPC407
0.7368 Intermediate Similarity NPC23167
0.7368 Intermediate Similarity NPC184169
0.7364 Intermediate Similarity NPC69539
0.7358 Intermediate Similarity NPC474272
0.7358 Intermediate Similarity NPC234639
0.7353 Intermediate Similarity NPC94343
0.7353 Intermediate Similarity NPC12714
0.7353 Intermediate Similarity NPC84325
0.7353 Intermediate Similarity NPC310905
0.7353 Intermediate Similarity NPC300166
0.7347 Intermediate Similarity NPC325292
0.7347 Intermediate Similarity NPC138117
0.7345 Intermediate Similarity NPC129176
0.7345 Intermediate Similarity NPC473875
0.7345 Intermediate Similarity NPC100108
0.7345 Intermediate Similarity NPC277798
0.7345 Intermediate Similarity NPC475529
0.734 Intermediate Similarity NPC175313
0.7339 Intermediate Similarity NPC276737
0.7339 Intermediate Similarity NPC180508
0.7339 Intermediate Similarity NPC22610
0.7339 Intermediate Similarity NPC228287
0.7327 Intermediate Similarity NPC260775
0.7327 Intermediate Similarity NPC471576
0.7326 Intermediate Similarity NPC215445
0.7321 Intermediate Similarity NPC471449
0.7321 Intermediate Similarity NPC51341
0.7321 Intermediate Similarity NPC32152
0.732 Intermediate Similarity NPC300017
0.732 Intermediate Similarity NPC47950
0.732 Intermediate Similarity NPC300478
0.7308 Intermediate Similarity NPC127676
0.7297 Intermediate Similarity NPC187993
0.7297 Intermediate Similarity NPC238176
0.7292 Intermediate Similarity NPC25493
0.7292 Intermediate Similarity NPC27974
0.7292 Intermediate Similarity NPC113460
0.729 Intermediate Similarity NPC95977
0.729 Intermediate Similarity NPC137685
0.7282 Intermediate Similarity NPC179686
0.7282 Intermediate Similarity NPC304638
0.7282 Intermediate Similarity NPC298224
0.7281 Intermediate Similarity NPC476165
0.7281 Intermediate Similarity NPC285289
0.7273 Intermediate Similarity NPC296526
0.7273 Intermediate Similarity NPC167934
0.7273 Intermediate Similarity NPC464
0.7273 Intermediate Similarity NPC185541
0.7273 Intermediate Similarity NPC808
0.7273 Intermediate Similarity NPC53906
0.7264 Intermediate Similarity NPC146530
0.7263 Intermediate Similarity NPC155393
0.7257 Intermediate Similarity NPC14177
0.7257 Intermediate Similarity NPC474131
0.7257 Intermediate Similarity NPC232295
0.7255 Intermediate Similarity NPC129373
0.7255 Intermediate Similarity NPC12931
0.7255 Intermediate Similarity NPC248396
0.7255 Intermediate Similarity NPC130756
0.7255 Intermediate Similarity NPC70677
0.7255 Intermediate Similarity NPC130103
0.7255 Intermediate Similarity NPC107101
0.7255 Intermediate Similarity NPC48730
0.7245 Intermediate Similarity NPC270547
0.7234 Intermediate Similarity NPC33756
0.7234 Intermediate Similarity NPC319826
0.7234 Intermediate Similarity NPC38459
0.7228 Intermediate Similarity NPC95755
0.7228 Intermediate Similarity NPC474073
0.7222 Intermediate Similarity NPC55300
0.7222 Intermediate Similarity NPC255068
0.7222 Intermediate Similarity NPC166837
0.7222 Intermediate Similarity NPC322285
0.7217 Intermediate Similarity NPC474864
0.7216 Intermediate Similarity NPC98772
0.7216 Intermediate Similarity NPC123273
0.7216 Intermediate Similarity NPC258219
0.7216 Intermediate Similarity NPC318325
0.7216 Intermediate Similarity NPC177420
0.7216 Intermediate Similarity NPC242240
0.7216 Intermediate Similarity NPC280347
0.7212 Intermediate Similarity NPC109637
0.7212 Intermediate Similarity NPC38209
0.7212 Intermediate Similarity NPC292792
0.7212 Intermediate Similarity NPC283546
0.7207 Intermediate Similarity NPC203113
0.7207 Intermediate Similarity NPC141090
0.7207 Intermediate Similarity NPC54507
0.7207 Intermediate Similarity NPC229147
0.7207 Intermediate Similarity NPC163398
0.7207 Intermediate Similarity NPC85292
0.7207 Intermediate Similarity NPC150624
0.7207 Intermediate Similarity NPC19290

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC157213 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD9295 Approved
0.8791 High Similarity NPD9296 Approved
0.8675 High Similarity NPD9088 Approved
0.8283 Intermediate Similarity NPD968 Approved
0.8261 Intermediate Similarity NPD9365 Approved
0.8193 Intermediate Similarity NPD9087 Approved
0.7879 Intermediate Similarity NPD291 Approved
0.7667 Intermediate Similarity NPD9089 Approved
0.7609 Intermediate Similarity NPD111 Approved
0.7593 Intermediate Similarity NPD6671 Approved
0.7556 Intermediate Similarity NPD9093 Approved
0.7547 Intermediate Similarity NPD228 Approved
0.75 Intermediate Similarity NPD290 Approved
0.7379 Intermediate Similarity NPD9501 Approved
0.7339 Intermediate Similarity NPD9299 Approved
0.7333 Intermediate Similarity NPD9552 Approved
0.729 Intermediate Similarity NPD2673 Approved
0.729 Intermediate Similarity NPD2671 Approved
0.7264 Intermediate Similarity NPD2684 Approved
0.7255 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD9073 Approved
0.7196 Intermediate Similarity NPD556 Approved
0.7188 Intermediate Similarity NPD9094 Approved
0.7156 Intermediate Similarity NPD821 Approved
0.71 Intermediate Similarity NPD2934 Approved
0.71 Intermediate Similarity NPD2933 Approved
0.7075 Intermediate Similarity NPD3134 Approved
0.7059 Intermediate Similarity NPD9097 Approved
0.7059 Intermediate Similarity NPD9095 Approved
0.7059 Intermediate Similarity NPD68 Approved
0.7059 Intermediate Similarity NPD9096 Approved
0.7043 Intermediate Similarity NPD3496 Discontinued
0.703 Intermediate Similarity NPD2859 Approved
0.703 Intermediate Similarity NPD2860 Approved
0.7009 Intermediate Similarity NPD1358 Approved
0.7 Intermediate Similarity NPD7843 Approved
0.6983 Remote Similarity NPD1535 Discovery
0.6931 Remote Similarity NPD1432 Clinical (unspecified phase)
0.693 Remote Similarity NPD1548 Phase 1
0.6923 Remote Similarity NPD1481 Phase 2
0.6881 Remote Similarity NPD5451 Approved
0.687 Remote Similarity NPD1357 Approved
0.6863 Remote Similarity NPD844 Approved
0.6852 Remote Similarity NPD9624 Approved
0.6852 Remote Similarity NPD5373 Approved
0.6852 Remote Similarity NPD5374 Approved
0.6832 Remote Similarity NPD845 Approved
0.6827 Remote Similarity NPD3020 Approved
0.6814 Remote Similarity NPD7157 Approved
0.6796 Remote Similarity NPD288 Approved
0.678 Remote Similarity NPD2233 Approved
0.678 Remote Similarity NPD2232 Approved
0.678 Remote Similarity NPD2230 Approved
0.6777 Remote Similarity NPD2861 Phase 2
0.675 Remote Similarity NPD3827 Clinical (unspecified phase)
0.6723 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6723 Remote Similarity NPD6583 Phase 3
0.6723 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6723 Remote Similarity NPD6582 Phase 2
0.6721 Remote Similarity NPD600 Approved
0.6721 Remote Similarity NPD596 Approved
0.6698 Remote Similarity NPD940 Approved
0.6698 Remote Similarity NPD846 Approved
0.6696 Remote Similarity NPD254 Approved
0.6696 Remote Similarity NPD1138 Approved
0.6696 Remote Similarity NPD769 Approved
0.6695 Remote Similarity NPD1091 Approved
0.6695 Remote Similarity NPD1610 Phase 2
0.6695 Remote Similarity NPD422 Phase 1
0.6667 Remote Similarity NPD4626 Approved
0.6667 Remote Similarity NPD2667 Approved
0.6667 Remote Similarity NPD1778 Approved
0.6667 Remote Similarity NPD6696 Suspended
0.6667 Remote Similarity NPD9697 Approved
0.6667 Remote Similarity NPD709 Approved
0.6667 Remote Similarity NPD2668 Approved
0.6667 Remote Similarity NPD191 Approved
0.6639 Remote Similarity NPD2235 Phase 2
0.6639 Remote Similarity NPD2231 Phase 2
0.6637 Remote Similarity NPD1398 Phase 1
0.6637 Remote Similarity NPD5283 Phase 1
0.6637 Remote Similarity NPD1241 Discontinued
0.661 Remote Similarity NPD3847 Discontinued
0.6609 Remote Similarity NPD9493 Approved
0.6607 Remote Similarity NPD1137 Approved
0.6607 Remote Similarity NPD1139 Approved
0.6604 Remote Similarity NPD1242 Phase 1
0.6583 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6581 Remote Similarity NPD1797 Approved
0.6581 Remote Similarity NPD6382 Discontinued
0.6581 Remote Similarity NPD1798 Approved
0.6571 Remote Similarity NPD9273 Approved
0.656 Remote Similarity NPD839 Approved
0.656 Remote Similarity NPD840 Approved
0.6559 Remote Similarity NPD9294 Approved
0.6557 Remote Similarity NPD6584 Phase 3
0.6549 Remote Similarity NPD5535 Approved
0.6538 Remote Similarity NPD1809 Phase 2
0.6532 Remote Similarity NPD3027 Phase 3
0.6504 Remote Similarity NPD5266 Clinical (unspecified phase)
0.6504 Remote Similarity NPD9494 Approved
0.65 Remote Similarity NPD9717 Approved
0.6496 Remote Similarity NPD9545 Approved
0.6496 Remote Similarity NPD1182 Approved
0.6496 Remote Similarity NPD1894 Discontinued
0.6475 Remote Similarity NPD6362 Approved
0.6471 Remote Similarity NPD915 Approved
0.6471 Remote Similarity NPD3447 Discontinued
0.6466 Remote Similarity NPD7340 Approved
0.6452 Remote Similarity NPD4908 Phase 1
0.6446 Remote Similarity NPD4749 Approved
0.6446 Remote Similarity NPD3685 Discontinued
0.6441 Remote Similarity NPD5585 Approved
0.6435 Remote Similarity NPD595 Approved
0.6435 Remote Similarity NPD593 Approved
0.6429 Remote Similarity NPD6233 Phase 2
0.6423 Remote Similarity NPD5647 Approved
0.6422 Remote Similarity NPD9610 Approved
0.6422 Remote Similarity NPD9608 Approved
0.6417 Remote Similarity NPD1611 Approved
0.641 Remote Similarity NPD1103 Approved
0.641 Remote Similarity NPD1102 Approved
0.641 Remote Similarity NPD1408 Clinical (unspecified phase)
0.641 Remote Similarity NPD5536 Phase 2
0.6406 Remote Similarity NPD2224 Approved
0.6406 Remote Similarity NPD2223 Approved
0.6404 Remote Similarity NPD7635 Approved
0.6396 Remote Similarity NPD9507 Approved
0.6393 Remote Similarity NPD1283 Approved
0.6387 Remote Similarity NPD5846 Approved
0.6387 Remote Similarity NPD6516 Phase 2
0.6385 Remote Similarity NPD2935 Discontinued
0.6379 Remote Similarity NPD2557 Approved
0.6364 Remote Similarity NPD1608 Approved
0.6356 Remote Similarity NPD7534 Approved
0.6356 Remote Similarity NPD7533 Approved
0.6349 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6349 Remote Similarity NPD3145 Approved
0.6349 Remote Similarity NPD3144 Approved
0.6348 Remote Similarity NPD592 Approved
0.6348 Remote Similarity NPD594 Approved
0.6341 Remote Similarity NPD4098 Discontinued
0.6341 Remote Similarity NPD1203 Approved
0.6341 Remote Similarity NPD2797 Approved
0.633 Remote Similarity NPD9500 Approved
0.6325 Remote Similarity NPD3596 Phase 2
0.632 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6311 Remote Similarity NPD1669 Approved
0.6306 Remote Similarity NPD1445 Approved
0.6306 Remote Similarity NPD1444 Approved
0.6303 Remote Similarity NPD1651 Approved
0.6303 Remote Similarity NPD5691 Approved
0.6299 Remote Similarity NPD2674 Phase 3
0.6293 Remote Similarity NPD9618 Approved
0.6293 Remote Similarity NPD9614 Approved
0.629 Remote Similarity NPD6917 Clinical (unspecified phase)
0.629 Remote Similarity NPD558 Phase 2
0.629 Remote Similarity NPD3691 Phase 2
0.629 Remote Similarity NPD4624 Approved
0.629 Remote Similarity NPD3690 Phase 2
0.6283 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6283 Remote Similarity NPD3022 Approved
0.6283 Remote Similarity NPD3021 Approved
0.6281 Remote Similarity NPD776 Approved
0.627 Remote Similarity NPD4625 Phase 3
0.626 Remote Similarity NPD3225 Approved
0.626 Remote Similarity NPD196 Phase 1
0.625 Remote Similarity NPD4060 Phase 1
0.625 Remote Similarity NPD1240 Approved
0.625 Remote Similarity NPD1613 Approved
0.625 Remote Similarity NPD2238 Phase 2
0.625 Remote Similarity NPD2423 Clinical (unspecified phase)
0.625 Remote Similarity NPD1612 Clinical (unspecified phase)
0.624 Remote Similarity NPD1712 Approved
0.624 Remote Similarity NPD1530 Clinical (unspecified phase)
0.624 Remote Similarity NPD4993 Discontinued
0.6239 Remote Similarity NPD6387 Discontinued
0.623 Remote Similarity NPD1840 Phase 2
0.622 Remote Similarity NPD1048 Approved
0.622 Remote Similarity NPD3056 Clinical (unspecified phase)
0.622 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6218 Remote Similarity NPD6581 Approved
0.6218 Remote Similarity NPD6580 Approved
0.621 Remote Similarity NPD1818 Approved
0.621 Remote Similarity NPD1817 Approved
0.621 Remote Similarity NPD1820 Approved
0.621 Remote Similarity NPD1819 Approved
0.621 Remote Similarity NPD987 Approved
0.621 Remote Similarity NPD1794 Approved
0.619 Remote Similarity NPD682 Discontinued
0.6179 Remote Similarity NPD2982 Phase 2
0.6179 Remote Similarity NPD2983 Phase 2
0.6179 Remote Similarity NPD4359 Approved
0.6172 Remote Similarity NPD7477 Discontinued
0.6167 Remote Similarity NPD3445 Approved
0.6167 Remote Similarity NPD3443 Approved
0.6167 Remote Similarity NPD6830 Clinical (unspecified phase)
0.6167 Remote Similarity NPD2594 Approved
0.6167 Remote Similarity NPD3049 Approved
0.6167 Remote Similarity NPD3444 Approved

Structure

External Identifiers

PubChem CID   9015
ChEMBL   CHEMBL544
ZINC  

Physicochemical Properties

Molecular Weight:  124.05
ALogP:  -0.5121
MLogP:  2.01
XLogP:  1.389
# Rotatable Bonds:  3
Polar Surface Area:  29.46
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  9

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Structure MOL file  
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Biological Activities  
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