Natural Product: NPC291426

Natural Product ID:  NPC291426
Common Name:   3-Chlorobenzoic Acid
IUPAC Name:   3-chlorobenzoic acid
Synonyms:   3-Chloro-Benzoic Acid
Molecular Formula:   C7H5ClO2
Standard InCHIKey:  LULAYUGMBFYYEX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
Canonical SMILES:  Clc1cccc(c1)C(=O)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
NPO9906 Zephyranthes flava Species Amaryllidaceae Eukaryota UNPD*
NPO25370 Botrychium ternatum Species Ophioglossaceae Eukaryota UNPD*
NPO15802 Papaver pseudocanescens Species Papaveraceae Eukaryota UNPD*
NPO18348 Crotalaria stolzii Species Fabaceae Eukaryota UNPD*
NPO16135 Pestalotiopsis oenotherae Species Sporocadaceae Eukaryota UNPD*
NPO19709 Pseudocyphellaria australiensis Species Lobariaceae Eukaryota UNPD*
NPO4679 Hedysarum gmelini Species Fabaceae Eukaryota UNPD*
NPO18927 Clinacanthus nutans Species Acanthaceae Eukaryota UNPD*
NPO18602 Melampodium leucanthum Species Asteraceae Eukaryota UNPD*
NPO12223 Stellaria media Species Caryophyllaceae Eukaryota UNPD*
NPO17296 Beesia calthifolia Species Ranunculaceae Eukaryota UNPD*
NPO13358 Piper brachystachyum Species Piperaceae Eukaryota UNPD*
NPO18424 Selinum libanotis Species Apiaceae Eukaryota UNPD*
NPO17114 Streptomyces melanogenes Species Streptomycetaceae Bacteria UNPD*
NPO18262 Aspergillus microcysticus Species Aspergillaceae Eukaryota UNPD*
NPO13737 Tephroseris kirilowii Species Asteraceae Eukaryota UNPD*
NPO19572 Pellacalyx axillaris Species Rhizophoraceae Eukaryota UNPD*
NPO17630 Helenium integrifolium Species Asteraceae Eukaryota UNPD*
NPO17499 Bursera kerberi Species Burseraceae Eukaryota UNPD*
NPO19242 Eucalyptus albens Species Myrtaceae Eukaryota UNPD*
NPO12914 Sarcophyton flexuosum Species Alcyoniidae Eukaryota UNPD*
NPO11164 Renealmia alpinia Species Zingiberaceae Eukaryota UNPD*
NPO18169 Creosphaeria sassafras Species Xylariaceae Eukaryota UNPD*
NPO24402.1 Coffea liberica var. dewevrei Varieties Rubiaceae Eukaryota UNPD*
NPO29531 Lupinus cosentinii Species Fabaceae Eukaryota UNPD*
NPO16325 Sideritis dasygnaphala Species Lamiaceae Eukaryota UNPD*
NPO18765 Juniperus scopulorum Species Cupressaceae Eukaryota UNPD*
NPO19083 Alstonia angustiloba Species Apocynaceae Eukaryota UNPD*
NPO17230 Psidium acutangulum Species Myrtaceae Eukaryota UNPD*
NPO16981 Gutierrezia dracunculoides Species Asteraceae Eukaryota UNPD*
NPO1783 Euonymus fortunei Species Celastraceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO15127 Senecio congestus Species Asteraceae Eukaryota UNPD*
NPO18048 Phlomis crinita Species Lamiaceae Eukaryota UNPD*
NPO5455 Euploca racemosa Species Heliotropiaceae Eukaryota UNPD*
NPO14233 Ormosia dasycarpa Species Limoniidae Eukaryota UNPD*
NPO19769 Boschniakia rossica Species Orobanchaceae Eukaryota UNPD*
NPO29450 Streptomyces parvisporogenes Species Streptomycetaceae Bacteria UNPD*
NPO8172 Emericellopsis minima Species NA Eukaryota UNPD*
NPO17354 Micromonospora echinospora Species Micromonosporaceae Bacteria UNPD*
NPO18533 Delisea elegans Species Bonnemaisoniaceae Eukaryota UNPD*
NPO18676 Clerodendrum trichotomum Species Lamiaceae Eukaryota UNPD*
NPO11967 Delphinium giraldii Species Ranunculaceae Eukaryota UNPD*
NPO12870 Curcuma aeruginosa Species Zingiberaceae Eukaryota UNPD*
NPO17759 Rhododendron mucronulatum Species Ericaceae Eukaryota UNPD*
NPO11081 Baccharis grandicapitulata Species Asteraceae Eukaryota UNPD*
NPO19371 Costasiella ocellifera Species Costasiellidae Eukaryota UNPD*
NPO11646 Morella pensylvanica Species Myricaceae Eukaryota UNPD*
NPO19170 Lasianthaea podocephala Species Asteraceae Eukaryota UNPD*
NPO968 Artemisia pectinata Species Asteraceae Eukaryota UNPD*
NPO19436 Annona cherimola Species Annonaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2230 Individual Protein Thiopurine S-methyltransferase Homo sapiens IC50 = 194984.46 nM 3950915
NPT103 Individual Protein Nuclear receptor ROR-gamma Homo sapiens Potency 149.6 nM PubChem BioAssay data set
NPT2 Others Unspecified FC = 0.18 13215
NPT2 Others Unspecified Potency 68798.9 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 NPC291426 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
0.949 High Similarity NPC324786
0.9029 High Similarity NPC216122
0.8842 High Similarity NPC62765
0.8421 Intermediate Similarity NPC318107
0.84 Intermediate Similarity NPC61944
0.8317 Intermediate Similarity NPC253423
0.8235 Intermediate Similarity NPC229242
0.8155 Intermediate Similarity NPC217621
0.8155 Intermediate Similarity NPC228435
0.8077 Intermediate Similarity NPC282895
0.8 Intermediate Similarity NPC284477
0.8 Intermediate Similarity NPC25458
0.8 Intermediate Similarity NPC304873
0.7925 Intermediate Similarity NPC255676
0.7843 Intermediate Similarity NPC261181
0.7822 Intermediate Similarity NPC110704
0.7778 Intermediate Similarity NPC105899
0.7767 Intermediate Similarity NPC130398
0.7706 Intermediate Similarity NPC187913
0.7706 Intermediate Similarity NPC184658
0.7647 Intermediate Similarity NPC475692
0.7636 Intermediate Similarity NPC29883
0.7636 Intermediate Similarity NPC249811
0.7619 Intermediate Similarity NPC249912
0.7619 Intermediate Similarity NPC92754
0.7619 Intermediate Similarity NPC276775
0.7568 Intermediate Similarity NPC85493
0.7568 Intermediate Similarity NPC100551
0.7568 Intermediate Similarity NPC318327
0.7551 Intermediate Similarity NPC285773
0.7547 Intermediate Similarity NPC225060
0.7547 Intermediate Similarity NPC78701
0.7547 Intermediate Similarity NPC35448
0.7477 Intermediate Similarity NPC146351
0.7477 Intermediate Similarity NPC203925
0.7477 Intermediate Similarity NPC325497
0.7477 Intermediate Similarity NPC118343
0.7434 Intermediate Similarity NPC476003
0.7434 Intermediate Similarity NPC260818
0.7407 Intermediate Similarity NPC42211
0.7407 Intermediate Similarity NPC70624
0.7383 Intermediate Similarity NPC175852
0.7383 Intermediate Similarity NPC160548
0.7383 Intermediate Similarity NPC210529
0.7368 Intermediate Similarity NPC158282
0.7368 Intermediate Similarity NPC66208
0.7368 Intermediate Similarity NPC321852
0.7364 Intermediate Similarity NPC249067
0.7355 Intermediate Similarity NPC474283
0.7339 Intermediate Similarity NPC45613
0.7339 Intermediate Similarity NPC188895
0.7295 Intermediate Similarity NPC475691
0.7281 Intermediate Similarity NPC243355
0.7273 Intermediate Similarity NPC89886
0.7273 Intermediate Similarity NPC474365
0.7273 Intermediate Similarity NPC301943
0.7273 Intermediate Similarity NPC60679
0.7255 Intermediate Similarity NPC322387
0.7248 Intermediate Similarity NPC52472
0.7245 Intermediate Similarity NPC127343
0.7241 Intermediate Similarity NPC211421
0.7241 Intermediate Similarity NPC153053
0.7241 Intermediate Similarity NPC237366
0.7217 Intermediate Similarity NPC474314
0.7207 Intermediate Similarity NPC31786
0.7207 Intermediate Similarity NPC114594
0.7184 Intermediate Similarity NPC329064
0.7179 Intermediate Similarity NPC306740
0.7179 Intermediate Similarity NPC81808
0.7179 Intermediate Similarity NPC186933
0.7168 Intermediate Similarity NPC226699
0.7168 Intermediate Similarity NPC211439
0.7168 Intermediate Similarity NPC141523
0.7168 Intermediate Similarity NPC303264
0.7168 Intermediate Similarity NPC34715
0.7165 Intermediate Similarity NPC30390
0.7156 Intermediate Similarity NPC245561
0.7155 Intermediate Similarity NPC272524
0.7143 Intermediate Similarity NPC209632
0.7143 Intermediate Similarity NPC269457
0.7143 Intermediate Similarity NPC219913
0.7143 Intermediate Similarity NPC163734
0.7129 Intermediate Similarity NPC44546
0.7117 Intermediate Similarity NPC329556
0.7117 Intermediate Similarity NPC160382
0.7117 Intermediate Similarity NPC13426
0.7105 Intermediate Similarity NPC224584
0.7094 Intermediate Similarity NPC223004
0.7094 Intermediate Similarity NPC98543
0.7094 Intermediate Similarity NPC474363
0.708 Intermediate Similarity NPC30594
0.708 Intermediate Similarity NPC119271
0.708 Intermediate Similarity NPC6984
0.708 Intermediate Similarity NPC37622
0.7059 Intermediate Similarity NPC128825
0.7059 Intermediate Similarity NPC131192
0.7059 Intermediate Similarity NPC95965
0.7059 Intermediate Similarity NPC312800
0.7059 Intermediate Similarity NPC158157
0.7054 Intermediate Similarity NPC76453
0.7048 Intermediate Similarity NPC86670
0.7048 Intermediate Similarity NPC274455
0.7048 Intermediate Similarity NPC70940
0.7043 Intermediate Similarity NPC95172
0.7037 Intermediate Similarity NPC246679
0.7034 Intermediate Similarity NPC476357
0.703 Intermediate Similarity NPC149263
0.703 Intermediate Similarity NPC288903
0.703 Intermediate Similarity NPC44830
0.7018 Intermediate Similarity NPC56493
0.7 Intermediate Similarity NPC240664
0.7 Intermediate Similarity NPC160199
0.6991 Remote Similarity NPC13495
0.6983 Remote Similarity NPC474057
0.6975 Remote Similarity NPC100353
0.6972 Remote Similarity NPC156021
0.6972 Remote Similarity NPC289201
0.6957 Remote Similarity NPC17525
0.6957 Remote Similarity NPC265407
0.6957 Remote Similarity NPC10251
0.6957 Remote Similarity NPC99846
0.6957 Remote Similarity NPC83628
0.6957 Remote Similarity NPC469636
0.6957 Remote Similarity NPC269023
0.6957 Remote Similarity NPC474364
0.6957 Remote Similarity NPC17417
0.6953 Remote Similarity NPC473247
0.6952 Remote Similarity NPC173443
0.6944 Remote Similarity NPC32977
0.6944 Remote Similarity NPC81010
0.6942 Remote Similarity NPC27633
0.6942 Remote Similarity NPC94637
0.6942 Remote Similarity NPC94298
0.6942 Remote Similarity NPC273282
0.6942 Remote Similarity NPC241089
0.6942 Remote Similarity NPC229353
0.6942 Remote Similarity NPC474890
0.6942 Remote Similarity NPC161943
0.693 Remote Similarity NPC317592
0.6923 Remote Similarity NPC212718
0.6923 Remote Similarity NPC194326
0.6923 Remote Similarity NPC114682
0.6917 Remote Similarity NPC83718
0.6907 Remote Similarity NPC32203
0.6907 Remote Similarity NPC206800
0.6899 Remote Similarity NPC48909
0.6897 Remote Similarity NPC174099
0.6897 Remote Similarity NPC214067
0.6897 Remote Similarity NPC251854
0.6897 Remote Similarity NPC196246
0.6897 Remote Similarity NPC93084
0.6893 Remote Similarity NPC294134
0.6891 Remote Similarity NPC474685
0.6885 Remote Similarity NPC328459
0.6885 Remote Similarity NPC156654
0.6885 Remote Similarity NPC61779
0.6885 Remote Similarity NPC472708
0.6885 Remote Similarity NPC90522
0.6881 Remote Similarity NPC257182
0.6875 Remote Similarity NPC320891
0.687 Remote Similarity NPC156648
0.6864 Remote Similarity NPC17693
0.686 Remote Similarity NPC125252
0.6847 Remote Similarity NPC280869
0.6838 Remote Similarity NPC1082
0.6838 Remote Similarity NPC305912
0.6838 Remote Similarity NPC313981
0.6838 Remote Similarity NPC116842
0.6838 Remote Similarity NPC210089
0.6838 Remote Similarity NPC167504
0.6838 Remote Similarity NPC474157
0.6829 Remote Similarity NPC260837
0.6829 Remote Similarity NPC130931
0.6829 Remote Similarity NPC72977
0.6829 Remote Similarity NPC150323
0.6829 Remote Similarity NPC233282
0.6822 Remote Similarity NPC317645
0.6818 Remote Similarity NPC270654
0.6807 Remote Similarity NPC11824
0.6807 Remote Similarity NPC196673
0.6807 Remote Similarity NPC242136
0.6789 Remote Similarity NPC172925
0.6786 Remote Similarity NPC473325
0.6783 Remote Similarity NPC29989
0.6783 Remote Similarity NPC95178
0.6783 Remote Similarity NPC69332
0.678 Remote Similarity NPC79496
0.678 Remote Similarity NPC268388
0.678 Remote Similarity NPC82899
0.678 Remote Similarity NPC270699
0.6774 Remote Similarity NPC165197
0.6768 Remote Similarity NPC66655
0.6762 Remote Similarity NPC89377
0.6757 Remote Similarity NPC260000
0.6754 Remote Similarity NPC329282
0.675 Remote Similarity NPC163154
0.6748 Remote Similarity NPC233165
0.6748 Remote Similarity NPC184579
0.6741 Remote Similarity NPC86087
0.6726 Remote Similarity NPC222390

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC291426 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
0.8842 High Similarity NPD9256 Approved
0.8842 High Similarity NPD9258 Approved
0.8421 Intermediate Similarity NPD9259 Approved
0.8421 Intermediate Similarity NPD9257 Approved
0.7843 Intermediate Similarity NPD1202 Approved
0.7815 Intermediate Similarity NPD1888 Phase 1
0.7767 Intermediate Similarity NPD9260 Approved
0.7636 Intermediate Similarity NPD9267 Approved
0.7636 Intermediate Similarity NPD9264 Approved
0.7636 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD9263 Approved
0.7568 Intermediate Similarity NPD74 Approved
0.7568 Intermediate Similarity NPD9266 Approved
0.7568 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD9491 Approved
0.75 Intermediate Similarity NPD4878 Approved
0.7479 Intermediate Similarity NPD1889 Phase 1
0.7477 Intermediate Similarity NPD1238 Approved
0.7477 Intermediate Similarity NPD3097 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD9249 Phase 1
0.7383 Intermediate Similarity NPD9495 Approved
0.7368 Intermediate Similarity NPD9508 Approved
0.7364 Intermediate Similarity NPD1237 Approved
0.732 Intermediate Similarity NPD9490 Approved
0.7304 Intermediate Similarity NPD5277 Phase 2
0.7273 Intermediate Similarity NPD9261 Approved
0.7238 Intermediate Similarity NPD9251 Approved
0.7207 Intermediate Similarity NPD164 Approved
0.7179 Intermediate Similarity NPD5951 Approved
0.7179 Intermediate Similarity NPD9281 Approved
0.7172 Intermediate Similarity NPD226 Approved
0.7117 Intermediate Similarity NPD1930 Approved
0.7117 Intermediate Similarity NPD1929 Approved
0.7117 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD800 Approved
0.7063 Intermediate Similarity NPD454 Approved
0.7059 Intermediate Similarity NPD9493 Approved
0.7059 Intermediate Similarity NPD694 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD1089 Approved
0.7048 Intermediate Similarity NPD1086 Approved
0.7048 Intermediate Similarity NPD1090 Approved
0.7025 Intermediate Similarity NPD1855 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2066 Phase 3
0.6981 Remote Similarity NPD1239 Approved
0.696 Remote Similarity NPD3098 Discontinued
0.6957 Remote Similarity NPD2182 Approved
0.6942 Remote Similarity NPD9545 Approved
0.6923 Remote Similarity NPD4453 Approved
0.6923 Remote Similarity NPD4452 Approved
0.6916 Remote Similarity NPD1088 Approved
0.6911 Remote Similarity NPD4879 Approved
0.6907 Remote Similarity NPD9716 Approved
0.6875 Remote Similarity NPD1932 Approved
0.6869 Remote Similarity NPD227 Approved
0.6869 Remote Similarity NPD225 Approved
0.6838 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6838 Remote Similarity NPD189 Phase 3
0.6838 Remote Similarity NPD188 Approved
0.6829 Remote Similarity NPD1362 Clinical (unspecified phase)
0.6829 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6829 Remote Similarity NPD9272 Approved
0.6829 Remote Similarity NPD1104 Approved
0.6818 Remote Similarity NPD1654 Clinical (unspecified phase)
0.6789 Remote Similarity NPD688 Clinical (unspecified phase)
0.6789 Remote Similarity NPD1693 Approved
0.6786 Remote Similarity NPD1616 Discontinued
0.6768 Remote Similarity NPD9294 Approved
0.6762 Remote Similarity NPD4793 Discontinued
0.6762 Remote Similarity NPD1087 Approved
0.675 Remote Similarity NPD690 Clinical (unspecified phase)
0.6724 Remote Similarity NPD9532 Phase 3
0.6697 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9717 Approved
0.6667 Remote Similarity NPD1564 Approved
0.6667 Remote Similarity NPD1565 Approved
0.6667 Remote Similarity NPD1566 Phase 3
0.6667 Remote Similarity NPD2354 Approved
0.6639 Remote Similarity NPD405 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5346 Phase 2
0.6636 Remote Similarity NPD5347 Phase 2
0.6614 Remote Similarity NPD182 Clinical (unspecified phase)
0.6613 Remote Similarity NPD9268 Approved
0.6549 Remote Similarity NPD1230 Approved
0.6535 Remote Similarity NPD9269 Phase 2
0.6532 Remote Similarity NPD2617 Discontinued
0.6525 Remote Similarity NPD2329 Discontinued
0.6522 Remote Similarity NPD6647 Phase 2
0.6515 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6512 Remote Similarity NPD1203 Approved
0.6512 Remote Similarity NPD1164 Approved
0.6496 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6496 Remote Similarity NPD2353 Approved
0.6496 Remote Similarity NPD7611 Approved
0.6493 Remote Similarity NPD1184 Approved
0.6475 Remote Similarity NPD1246 Approved
0.6475 Remote Similarity NPD1476 Clinical (unspecified phase)
0.6475 Remote Similarity NPD2629 Approved
0.6471 Remote Similarity NPD1317 Discontinued
0.6466 Remote Similarity NPD5909 Discontinued
0.6463 Remote Similarity NPD2379 Clinical (unspecified phase)
0.6462 Remote Similarity NPD6007 Clinical (unspecified phase)
0.646 Remote Similarity NPD9711 Approved
0.646 Remote Similarity NPD9710 Approved
0.6415 Remote Similarity NPD9073 Approved
0.6414 Remote Similarity NPD1514 Discontinued
0.6404 Remote Similarity NPD9712 Approved
0.6396 Remote Similarity NPD1563 Approved
0.6378 Remote Similarity NPD9693 Approved
0.6378 Remote Similarity NPD9692 Approved
0.6364 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6351 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6349 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6346 Remote Similarity NPD942 Approved
0.632 Remote Similarity NPD1359 Approved
0.6316 Remote Similarity NPD7008 Discontinued
0.6316 Remote Similarity NPD6966 Discovery
0.6316 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6312 Remote Similarity NPD3887 Approved
0.6304 Remote Similarity NPD1501 Clinical (unspecified phase)
0.629 Remote Similarity NPD255 Approved
0.629 Remote Similarity NPD256 Approved
0.6283 Remote Similarity NPD1989 Approved
0.6283 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6279 Remote Similarity NPD1077 Clinical (unspecified phase)
0.6269 Remote Similarity NPD411 Approved
0.6269 Remote Similarity NPD3764 Approved
0.6259 Remote Similarity NPD958 Approved
0.6242 Remote Similarity NPD4874 Phase 2
0.6241 Remote Similarity NPD1974 Clinical (unspecified phase)
0.624 Remote Similarity NPD9568 Approved
0.6239 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6239 Remote Similarity NPD9500 Approved
0.6231 Remote Similarity NPD5157 Phase 1
0.6231 Remote Similarity NPD5159 Phase 2
0.6231 Remote Similarity NPD5158 Clinical (unspecified phase)
0.623 Remote Similarity NPD2499 Approved
0.623 Remote Similarity NPD2500 Approved
0.6228 Remote Similarity NPD9566 Approved
0.6226 Remote Similarity NPD3971 Phase 1
0.6224 Remote Similarity NPD1340 Discontinued
0.6222 Remote Similarity NPD520 Approved
0.622 Remote Similarity NPD1245 Approved
0.622 Remote Similarity NPD4102 Approved
0.622 Remote Similarity NPD4105 Approved
0.621 Remote Similarity NPD1073 Approved
0.621 Remote Similarity NPD1074 Approved
0.621 Remote Similarity NPD1075 Approved
0.6202 Remote Similarity NPD518 Clinical (unspecified phase)
0.6202 Remote Similarity NPD6287 Discontinued
0.6202 Remote Similarity NPD1201 Approved
0.6202 Remote Similarity NPD3603 Phase 3
0.62 Remote Similarity NPD1210 Approved
0.619 Remote Similarity NPD9250 Approved
0.619 Remote Similarity NPD1758 Phase 1
0.6182 Remote Similarity NPD689 Discontinued
0.6174 Remote Similarity NPD253 Approved
0.6172 Remote Similarity NPD5306 Approved
0.6172 Remote Similarity NPD5305 Approved
0.6172 Remote Similarity NPD2345 Approved
0.6164 Remote Similarity NPD957 Approved
0.6164 Remote Similarity NPD2370 Clinical (unspecified phase)
0.6159 Remote Similarity NPD7230 Approved
0.6159 Remote Similarity NPD7231 Approved
0.6148 Remote Similarity NPD2313 Discontinued
0.6147 Remote Similarity NPD650 Approved
0.6142 Remote Similarity NPD1759 Phase 1
0.6136 Remote Similarity NPD1470 Approved
0.6131 Remote Similarity NPD447 Suspended
0.6126 Remote Similarity NPD3672 Approved
0.6126 Remote Similarity NPD3673 Approved
0.6124 Remote Similarity NPD4106 Approved
0.6124 Remote Similarity NPD4135 Approved
0.6124 Remote Similarity NPD4136 Approved
0.6111 Remote Similarity NPD111 Approved
0.6111 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6107 Remote Similarity NPD7029 Discontinued
0.6099 Remote Similarity NPD5958 Discontinued
0.6099 Remote Similarity NPD168 Phase 1
0.6099 Remote Similarity NPD167 Phase 2
0.6099 Remote Similarity NPD4534 Discontinued
0.609 Remote Similarity NPD4980 Approved
0.6087 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6084 Remote Similarity NPD5309 Clinical (unspecified phase)
0.6084 Remote Similarity NPD3973 Approved
0.6077 Remote Similarity NPD4807 Approved
0.6077 Remote Similarity NPD4806 Approved
0.6071 Remote Similarity NPD989 Approved
0.6069 Remote Similarity NPD1578 Phase 2
0.6067 Remote Similarity NPD7460 Discontinued
0.6066 Remote Similarity NPD2067 Discontinued
0.6061 Remote Similarity NPD2199 Approved
0.6061 Remote Similarity NPD4382 Clinical (unspecified phase)
0.6061 Remote Similarity NPD2198 Approved
0.6043 Remote Similarity NPD9279 Approved
0.6043 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6042 Remote Similarity NPD5308 Clinical (unspecified phase)
0.6031 Remote Similarity NPD1481 Phase 2
0.6018 Remote Similarity NPD159 Clinical (unspecified phase)
0.6017 Remote Similarity NPD9722 Approved
0.6017 Remote Similarity NPD9721 Approved

Structure

External Identifiers

PubChem CID   447
ChEMBL   CHEMBL20563
ZINC  

Physicochemical Properties

Molecular Weight:  156.00
ALogP:  0.5045
MLogP:  1.9
XLogP:  2.129
# Rotatable Bonds:  3
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  10

Download Data

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Structure MOL file  
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Biological Activities  
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