Natural Product: NPC222390

Natural Product ID:  NPC222390
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C11H8O3
Standard InCHIKey:  LULCPJWUGUVEFU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H8O3/c1-6-9(12)7-4-2-3-5-8(7)11(14)10(6)13/h2-5,13H,1H3
Canonical SMILES:  CC1=C(O)C(=O)c2c(C1=O)cccc2
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
NPO12083 Hydnellum zonatum Species Thelephoraceae Eukaryota UNPD*
NPO487 Tabebuia avellanedae Species Bignoniaceae Eukaryota UNPD*
NPO3751 Orthantha lutea NA NA NA UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT367 Cell Line MDA-N Homo sapiens GI50 46665.94 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 58748.94 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 12302.69 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 21527.82 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 6823.39 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 64863.44 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 4446.31 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 9015.71 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 78523.56 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 43351.09 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 33962.53 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 88511.56 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 24322.04 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 84333.48 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 22961.49 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 47863.01 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 97498.96 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 16943.38 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 18578.04 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 70631.76 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 18578.04 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 44258.84 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 27039.58 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 94623.72 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 82603.79 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 67608.3 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 43551.19 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 39264.49 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 49431.07 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 52601.73 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 80352.61 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 78162.78 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 71944.9 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 47315.13 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 56104.8 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
NPT406 Cell Line RXF 393 Homo sapiens GI50 34833.73 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 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 NPC222390 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
1.0 High Similarity NPC244427
0.9895 High Similarity NPC274443
0.9691 High Similarity NPC172483
0.9574 High Similarity NPC156021
0.9126 High Similarity NPC292834
0.9082 High Similarity NPC112552
0.8911 High Similarity NPC134120
0.8857 High Similarity NPC143768
0.8835 High Similarity NPC192577
0.8667 High Similarity NPC291799
0.8667 High Similarity NPC137315
0.8641 High Similarity NPC100767
0.8627 High Similarity NPC329282
0.8617 High Similarity NPC43945
0.8614 High Similarity NPC320891
0.8585 High Similarity NPC186128
0.8558 High Similarity NPC470391
0.8545 High Similarity NPC318173
0.8532 High Similarity NPC469843
0.8529 High Similarity NPC247976
0.8526 High Similarity NPC157778
0.8468 Intermediate Similarity NPC204784
0.8455 Intermediate Similarity NPC323440
0.8455 Intermediate Similarity NPC222968
0.8455 Intermediate Similarity NPC80605
0.8454 Intermediate Similarity NPC110704
0.8426 Intermediate Similarity NPC326664
0.8426 Intermediate Similarity NPC241851
0.8393 Intermediate Similarity NPC105709
0.8381 Intermediate Similarity NPC203732
0.8351 Intermediate Similarity NPC173413
0.8349 Intermediate Similarity NPC470764
0.8318 Intermediate Similarity NPC474057
0.8283 Intermediate Similarity NPC34243
0.8265 Intermediate Similarity NPC284475
0.8191 Intermediate Similarity NPC215008
0.8182 Intermediate Similarity NPC188844
0.8182 Intermediate Similarity NPC1682
0.8182 Intermediate Similarity NPC155232
0.8174 Intermediate Similarity NPC65627
0.8173 Intermediate Similarity NPC329556
0.8144 Intermediate Similarity NPC477693
0.8144 Intermediate Similarity NPC477704
0.8137 Intermediate Similarity NPC229242
0.8103 Intermediate Similarity NPC328107
0.8103 Intermediate Similarity NPC318067
0.81 Intermediate Similarity NPC238219
0.8091 Intermediate Similarity NPC196673
0.8091 Intermediate Similarity NPC67377
0.8091 Intermediate Similarity NPC471721
0.8081 Intermediate Similarity NPC476484
0.8081 Intermediate Similarity NPC133461
0.8073 Intermediate Similarity NPC218855
0.8034 Intermediate Similarity NPC295664
0.8034 Intermediate Similarity NPC310540
0.8018 Intermediate Similarity NPC93181
0.8 Intermediate Similarity NPC59677
0.8 Intermediate Similarity NPC153885
0.8 Intermediate Similarity NPC470253
0.8 Intermediate Similarity NPC471481
0.7982 Intermediate Similarity NPC265513
0.798 Intermediate Similarity NPC19256
0.7966 Intermediate Similarity NPC236405
0.7946 Intermediate Similarity NPC62138
0.7944 Intermediate Similarity NPC185763
0.7944 Intermediate Similarity NPC37914
0.7944 Intermediate Similarity NPC83409
0.7941 Intermediate Similarity NPC12695
0.7938 Intermediate Similarity NPC307
0.7938 Intermediate Similarity NPC160339
0.7928 Intermediate Similarity NPC130591
0.7928 Intermediate Similarity NPC234637
0.7925 Intermediate Similarity NPC249067
0.7921 Intermediate Similarity NPC289883
0.7913 Intermediate Similarity NPC285829
0.7913 Intermediate Similarity NPC206778
0.7909 Intermediate Similarity NPC212415
0.7905 Intermediate Similarity NPC284477
0.7905 Intermediate Similarity NPC25458
0.7899 Intermediate Similarity NPC231774
0.7899 Intermediate Similarity NPC81135
0.7876 Intermediate Similarity NPC158157
0.787 Intermediate Similarity NPC112903
0.787 Intermediate Similarity NPC211439
0.7864 Intermediate Similarity NPC240042
0.7843 Intermediate Similarity NPC260233
0.7838 Intermediate Similarity NPC93287
0.7838 Intermediate Similarity NPC13784
0.7835 Intermediate Similarity NPC95965
0.783 Intermediate Similarity NPC255676
0.7826 Intermediate Similarity NPC476645
0.781 Intermediate Similarity NPC282895
0.78 Intermediate Similarity NPC277277
0.7798 Intermediate Similarity NPC318327
0.7788 Intermediate Similarity NPC75724
0.7788 Intermediate Similarity NPC49994
0.7788 Intermediate Similarity NPC145052
0.7788 Intermediate Similarity NPC134882
0.7778 Intermediate Similarity NPC267262
0.7769 Intermediate Similarity NPC237225
0.7768 Intermediate Similarity NPC196075
0.7768 Intermediate Similarity NPC477411
0.7766 Intermediate Similarity NPC300205
0.775 Intermediate Similarity NPC15837
0.7748 Intermediate Similarity NPC66208
0.7736 Intermediate Similarity NPC304873
0.7714 Intermediate Similarity NPC217621
0.7714 Intermediate Similarity NPC54647
0.7712 Intermediate Similarity NPC307174
0.7706 Intermediate Similarity NPC226699
0.77 Intermediate Similarity NPC418308
0.7699 Intermediate Similarity NPC476357
0.7699 Intermediate Similarity NPC274839
0.7699 Intermediate Similarity NPC217111
0.7699 Intermediate Similarity NPC215419
0.7699 Intermediate Similarity NPC186933
0.7699 Intermediate Similarity NPC228936
0.7692 Intermediate Similarity NPC239185
0.7692 Intermediate Similarity NPC253423
0.7692 Intermediate Similarity NPC103048
0.7692 Intermediate Similarity NPC472981
0.7692 Intermediate Similarity NPC265220
0.7685 Intermediate Similarity NPC209632
0.7685 Intermediate Similarity NPC105899
0.7684 Intermediate Similarity NPC164086
0.7679 Intermediate Similarity NPC231717
0.7677 Intermediate Similarity NPC322387
0.767 Intermediate Similarity NPC172925
0.7667 Intermediate Similarity NPC123506
0.766 Intermediate Similarity NPC36342
0.766 Intermediate Similarity NPC285470
0.766 Intermediate Similarity NPC2785
0.7658 Intermediate Similarity NPC210089
0.7642 Intermediate Similarity NPC476993
0.7642 Intermediate Similarity NPC27659
0.7642 Intermediate Similarity NPC109514
0.7636 Intermediate Similarity NPC85493
0.7632 Intermediate Similarity NPC226093
0.7632 Intermediate Similarity NPC135730
0.7629 Intermediate Similarity NPC285773
0.7627 Intermediate Similarity NPC120545
0.7624 Intermediate Similarity NPC274455
0.7624 Intermediate Similarity NPC303967
0.7624 Intermediate Similarity NPC70940
0.7624 Intermediate Similarity NPC86670
0.7624 Intermediate Similarity NPC67585
0.7624 Intermediate Similarity NPC110420
0.7615 Intermediate Similarity NPC6984
0.7611 Intermediate Similarity NPC11824
0.7604 Intermediate Similarity NPC145053
0.7603 Intermediate Similarity NPC51037
0.7603 Intermediate Similarity NPC1991
0.76 Intermediate Similarity NPC329064
0.7593 Intermediate Similarity NPC114594
0.7589 Intermediate Similarity NPC212718
0.7583 Intermediate Similarity NPC164014
0.7581 Intermediate Similarity NPC205360
0.7568 Intermediate Similarity NPC95172
0.7565 Intermediate Similarity NPC108288
0.7563 Intermediate Similarity NPC91478
0.7563 Intermediate Similarity NPC164947
0.7563 Intermediate Similarity NPC282577
0.7553 Intermediate Similarity NPC245966
0.7545 Intermediate Similarity NPC34715
0.7545 Intermediate Similarity NPC141523
0.7541 Intermediate Similarity NPC324209
0.7541 Intermediate Similarity NPC478165
0.7541 Intermediate Similarity NPC478162
0.7524 Intermediate Similarity NPC289201
0.7523 Intermediate Similarity NPC471186
0.7522 Intermediate Similarity NPC272524
0.7521 Intermediate Similarity NPC202015
0.75 Intermediate Similarity NPC69057
0.75 Intermediate Similarity NPC71664
0.75 Intermediate Similarity NPC472880
0.75 Intermediate Similarity NPC194326
0.75 Intermediate Similarity NPC190567
0.75 Intermediate Similarity NPC198305
0.75 Intermediate Similarity NPC471553
0.75 Intermediate Similarity NPC260818
0.75 Intermediate Similarity NPC135062
0.748 Intermediate Similarity NPC165257
0.7479 Intermediate Similarity NPC167323
0.7479 Intermediate Similarity NPC269923
0.7477 Intermediate Similarity NPC269023
0.7477 Intermediate Similarity NPC224584
0.7477 Intermediate Similarity NPC99846
0.7477 Intermediate Similarity NPC17525
0.7476 Intermediate Similarity NPC323420
0.746 Intermediate Similarity NPC171968
0.7459 Intermediate Similarity NPC3224
0.7459 Intermediate Similarity NPC306765
0.7458 Intermediate Similarity NPC232958
0.7456 Intermediate Similarity NPC242136
0.7455 Intermediate Similarity NPC30594
0.7455 Intermediate Similarity NPC37622
0.7453 Intermediate Similarity NPC329387
0.7453 Intermediate Similarity NPC317280
0.7451 Intermediate Similarity NPC62765
0.7449 Intermediate Similarity NPC39600

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC222390 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
0.8617 High Similarity NPD650 Approved
0.8265 Intermediate Similarity NPD7609 Phase 3
0.8182 Intermediate Similarity NPD7631 Approved
0.8173 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.8173 Intermediate Similarity NPD1929 Approved
0.8173 Intermediate Similarity NPD1930 Approved
0.8158 Intermediate Similarity NPD4879 Approved
0.8058 Intermediate Similarity NPD2066 Phase 3
0.7982 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7925 Intermediate Similarity NPD1237 Approved
0.7909 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7905 Intermediate Similarity NPD1932 Approved
0.7745 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD3495 Discontinued
0.767 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD1693 Approved
0.7636 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD2329 Discontinued
0.7629 Intermediate Similarity NPD9491 Approved
0.7624 Intermediate Similarity NPD1089 Approved
0.7624 Intermediate Similarity NPD1090 Approved
0.7624 Intermediate Similarity NPD1086 Approved
0.7565 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7549 Intermediate Similarity NPD1239 Approved
0.7544 Intermediate Similarity NPD5951 Approved
0.7525 Intermediate Similarity NPD800 Approved
0.7476 Intermediate Similarity NPD1508 Approved
0.7476 Intermediate Similarity NPD1088 Approved
0.7451 Intermediate Similarity NPD9258 Approved
0.7451 Intermediate Similarity NPD9256 Approved
0.7431 Intermediate Similarity NPD164 Approved
0.7423 Intermediate Similarity NPD942 Approved
0.7417 Intermediate Similarity NPD4878 Approved
0.7358 Intermediate Similarity NPD1566 Phase 3
0.7358 Intermediate Similarity NPD1564 Approved
0.7358 Intermediate Similarity NPD1565 Approved
0.7327 Intermediate Similarity NPD1087 Approved
0.7311 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD7009 Phase 2
0.7264 Intermediate Similarity NPD1843 Approved
0.7257 Intermediate Similarity NPD1317 Discontinued
0.7245 Intermediate Similarity NPD226 Approved
0.7238 Intermediate Similarity NPD1202 Approved
0.7236 Intermediate Similarity NPD1470 Approved
0.7228 Intermediate Similarity NPD9257 Approved
0.7228 Intermediate Similarity NPD9259 Approved
0.7216 Intermediate Similarity NPD9490 Approved
0.7203 Intermediate Similarity NPD7610 Discontinued
0.719 Intermediate Similarity NPD1201 Approved
0.7168 Intermediate Similarity NPD2182 Approved
0.7167 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD9495 Approved
0.7094 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD1563 Approved
0.7043 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD2345 Approved
0.699 Remote Similarity NPD506 Clinical (unspecified phase)
0.697 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6949 Remote Similarity NPD1246 Approved
0.6944 Remote Similarity NPD1989 Approved
0.6942 Remote Similarity NPD1245 Approved
0.6939 Remote Similarity NPD227 Approved
0.6939 Remote Similarity NPD225 Approved
0.693 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6909 Remote Similarity NPD1238 Approved
0.6885 Remote Similarity NPD2932 Approved
0.6857 Remote Similarity NPD5347 Phase 2
0.6857 Remote Similarity NPD5346 Phase 2
0.6829 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6827 Remote Similarity NPD4793 Discontinued
0.6814 Remote Similarity NPD5909 Discontinued
0.681 Remote Similarity NPD664 Approved
0.68 Remote Similarity NPD182 Clinical (unspecified phase)
0.6783 Remote Similarity NPD9267 Approved
0.6783 Remote Similarity NPD9263 Approved
0.6783 Remote Similarity NPD9264 Approved
0.6769 Remote Similarity NPD7961 Discontinued
0.6767 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6748 Remote Similarity NPD3019 Approved
0.6746 Remote Similarity NPD1876 Approved
0.6744 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6744 Remote Similarity NPD7008 Discontinued
0.6726 Remote Similarity NPD6647 Phase 2
0.6724 Remote Similarity NPD74 Approved
0.6724 Remote Similarity NPD9266 Approved
0.6723 Remote Similarity NPD1241 Discontinued
0.6721 Remote Similarity NPD9545 Approved
0.672 Remote Similarity NPD3972 Approved
0.6697 Remote Similarity NPD9260 Approved
0.6695 Remote Similarity NPD9508 Approved
0.6694 Remote Similarity NPD9493 Approved
0.6667 Remote Similarity NPD2629 Approved
0.6667 Remote Similarity NPD1471 Phase 3
0.6639 Remote Similarity NPD5277 Phase 2
0.6639 Remote Similarity NPD6858 Approved
0.6639 Remote Similarity NPD7094 Approved
0.6609 Remote Similarity NPD1018 Approved
0.6602 Remote Similarity NPD3971 Phase 1
0.6579 Remote Similarity NPD9261 Approved
0.6562 Remote Similarity NPD1164 Approved
0.6547 Remote Similarity NPD7236 Approved
0.6547 Remote Similarity NPD3300 Phase 2
0.6544 Remote Similarity NPD2346 Discontinued
0.6535 Remote Similarity NPD5157 Phase 1
0.6535 Remote Similarity NPD5159 Phase 2
0.6535 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6525 Remote Similarity NPD2067 Discontinued
0.6519 Remote Similarity NPD651 Clinical (unspecified phase)
0.6512 Remote Similarity NPD2798 Approved
0.6512 Remote Similarity NPD4980 Approved
0.6512 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6491 Remote Similarity NPD2648 Phase 3
0.6491 Remote Similarity NPD2193 Phase 2
0.6486 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6484 Remote Similarity NPD1574 Approved
0.6484 Remote Similarity NPD1283 Approved
0.6481 Remote Similarity NPD3672 Approved
0.6481 Remote Similarity NPD3673 Approved
0.6449 Remote Similarity NPD1101 Approved
0.6439 Remote Similarity NPD3764 Approved
0.6434 Remote Similarity NPD1593 Approved
0.6429 Remote Similarity NPD3023 Approved
0.6429 Remote Similarity NPD3026 Approved
0.6429 Remote Similarity NPD1100 Approved
0.6429 Remote Similarity NPD1099 Approved
0.6404 Remote Similarity NPD3135 Clinical (unspecified phase)
0.64 Remote Similarity NPD1651 Approved
0.64 Remote Similarity NPD4105 Approved
0.64 Remote Similarity NPD4102 Approved
0.64 Remote Similarity NPD3025 Approved
0.64 Remote Similarity NPD3024 Approved
0.6397 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6393 Remote Similarity NPD9281 Approved
0.6378 Remote Similarity NPD6287 Discontinued
0.6378 Remote Similarity NPD518 Clinical (unspecified phase)
0.6372 Remote Similarity NPD253 Approved
0.637 Remote Similarity NPD1607 Approved
0.635 Remote Similarity NPD5405 Approved
0.635 Remote Similarity NPD5404 Approved
0.635 Remote Similarity NPD5408 Approved
0.635 Remote Similarity NPD5406 Approved
0.6349 Remote Similarity NPD5306 Approved
0.6349 Remote Similarity NPD5305 Approved
0.6349 Remote Similarity NPD1362 Clinical (unspecified phase)
0.6348 Remote Similarity NPD2171 Approved
0.6348 Remote Similarity NPD2196 Discontinued
0.6343 Remote Similarity NPD1240 Approved
0.6341 Remote Similarity NPD3317 Approved
0.6328 Remote Similarity NPD9717 Approved
0.6319 Remote Similarity NPD7239 Suspended
0.6316 Remote Similarity NPD2313 Discontinued
0.6311 Remote Similarity NPD1280 Clinical (unspecified phase)
0.6311 Remote Similarity NPD2652 Approved
0.6311 Remote Similarity NPD2650 Approved
0.6311 Remote Similarity NPD6010 Discontinued
0.6306 Remote Similarity NPD845 Approved
0.6306 Remote Similarity NPD719 Approved
0.6306 Remote Similarity NPD720 Approved
0.6304 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6304 Remote Similarity NPD2344 Approved
0.63 Remote Similarity NPD9716 Approved
0.6299 Remote Similarity NPD4136 Approved
0.6299 Remote Similarity NPD4135 Approved
0.6299 Remote Similarity NPD4106 Approved
0.6293 Remote Similarity NPD3357 Discontinued
0.6293 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6286 Remote Similarity NPD7003 Approved
0.6283 Remote Similarity NPD9566 Approved
0.6279 Remote Similarity NPD1755 Approved
0.6277 Remote Similarity NPD2799 Discontinued
0.6276 Remote Similarity NPD3226 Approved
0.625 Remote Similarity NPD6049 Phase 2
0.625 Remote Similarity NPD4806 Approved
0.625 Remote Similarity NPD4807 Approved
0.625 Remote Similarity NPD6048 Clinical (unspecified phase)
0.625 Remote Similarity NPD2934 Approved
0.625 Remote Similarity NPD1281 Approved
0.625 Remote Similarity NPD1547 Clinical (unspecified phase)
0.625 Remote Similarity NPD2933 Approved
0.6241 Remote Similarity NPD6966 Discovery
0.6222 Remote Similarity NPD943 Approved
0.622 Remote Similarity NPD1104 Approved
0.6216 Remote Similarity NPD752 Approved
0.6202 Remote Similarity NPD1608 Approved
0.6198 Remote Similarity NPD3642 Approved
0.6198 Remote Similarity NPD3644 Approved
0.6198 Remote Similarity NPD3643 Approved
0.6195 Remote Similarity NPD2860 Approved
0.6195 Remote Similarity NPD2859 Approved
0.6194 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6186 Remote Similarity NPD2192 Approved
0.6186 Remote Similarity NPD999 Phase 2
0.6186 Remote Similarity NPD2197 Approved
0.6186 Remote Similarity NPD1677 Discontinued
0.6186 Remote Similarity NPD5048 Discontinued
0.6183 Remote Similarity NPD1203 Approved
0.6176 Remote Similarity NPD9294 Approved
0.6174 Remote Similarity NPD3097 Clinical (unspecified phase)
0.6174 Remote Similarity NPD3020 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL158364
ZINC  

Physicochemical Properties

Molecular Weight:  188.05
ALogP:  -0.1765
MLogP:  2.34
XLogP:  2.489
# Rotatable Bonds:  2
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  14

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