Natural Product: NPC95898

Natural Product ID:  NPC95898
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C12H8N2O4
Standard InCHIKey:  NBMOVCYIGUDQJE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H8N2O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H
Canonical SMILES:  Oc1cccc2c1n(=O)c1c(n2=O)c(O)ccc1
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
NPO19862 Gentiana siphonantha Species Gentianaceae Eukaryota UNPD*
NPO18957 Senecio ambavilla Species Asteraceae Eukaryota UNPD*
NPO21517 Lychnophora salicifolia Species Asteraceae Eukaryota UNPD*
NPO19737 Naucleopsis macrophylla Species Moraceae Eukaryota UNPD*
NPO19596 Drepanocarpus lunatus NA NA NA UNPD*
NPO21195 Ilex warburgii Species Aquifoliaceae Eukaryota UNPD*
NPO4124 Dimocarpus longan Species Sapindaceae Eukaryota UNPD*
NPO18779 Melampodium longicorne Species Asteraceae Eukaryota UNPD*
NPO18353 Alstonia glabriflora Species Apocynaceae Eukaryota 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 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 14223.29 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 94623.72 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 22698.65 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 47863.01 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 53456.44 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 32658.78 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 39174.19 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 3990.25 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 29174.27 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 70794.58 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 27925.44 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 25941.79 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 43251.38 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 92044.96 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 23442.29 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 47863.01 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 37497.3 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 20370.42 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 100000 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 18578.04 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 42657.95 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 56754.46 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 46025.66 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 84722.74 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 21379.62 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 46558.61 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 23768.4 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 31768.74 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 53088.44 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 20653.8 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 45708.82 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 40179.08 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 30130.06 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 25061.09 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 57942.87 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 6531.31 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 30199.52 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 37931.5 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 5559.04 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 60394.86 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 52844.53 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 NPC95898 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
0.9487 High Similarity NPC79911
0.9423 High Similarity NPC120798
0.8742 High Similarity NPC36168
0.8555 High Similarity NPC314573
0.848 Intermediate Similarity NPC478023
0.8457 Intermediate Similarity NPC110741
0.8443 Intermediate Similarity NPC1527
0.8114 Intermediate Similarity NPC118776
0.7929 Intermediate Similarity NPC285635
0.7884 Intermediate Similarity NPC471736
0.7714 Intermediate Similarity NPC258773
0.76 Intermediate Similarity NPC44161
0.7572 Intermediate Similarity NPC48192
0.7556 Intermediate Similarity NPC478032
0.7526 Intermediate Similarity NPC308392
0.7513 Intermediate Similarity NPC250448
0.7487 Intermediate Similarity NPC470586
0.7414 Intermediate Similarity NPC25899
0.7365 Intermediate Similarity NPC470403
0.7365 Intermediate Similarity NPC470404
0.7365 Intermediate Similarity NPC470394
0.7278 Intermediate Similarity NPC470395
0.7277 Intermediate Similarity NPC474188
0.7251 Intermediate Similarity NPC288445
0.7228 Intermediate Similarity NPC266551
0.72 Intermediate Similarity NPC116573
0.7193 Intermediate Similarity NPC257142
0.7186 Intermediate Similarity NPC85273
0.715 Intermediate Similarity NPC192315
0.7113 Intermediate Similarity NPC476167
0.7112 Intermediate Similarity NPC42591
0.7101 Intermediate Similarity NPC60553
0.7072 Intermediate Similarity NPC314940
0.7072 Intermediate Similarity NPC473764
0.7069 Intermediate Similarity NPC284348
0.7069 Intermediate Similarity NPC153769
0.7043 Intermediate Similarity NPC219963
0.7043 Intermediate Similarity NPC161887
0.7035 Intermediate Similarity NPC220523
0.7021 Intermediate Similarity NPC20249
0.6995 Remote Similarity NPC474409
0.694 Remote Similarity NPC14651
0.694 Remote Similarity NPC121658
0.6936 Remote Similarity NPC161292
0.6885 Remote Similarity NPC476518
0.6884 Remote Similarity NPC200836
0.6884 Remote Similarity NPC53144
0.6878 Remote Similarity NPC62069
0.6875 Remote Similarity NPC144381
0.6859 Remote Similarity NPC143156
0.6856 Remote Similarity NPC226202
0.6848 Remote Similarity NPC252590
0.6796 Remote Similarity NPC177404
0.6778 Remote Similarity NPC84508
0.6772 Remote Similarity NPC314394
0.6766 Remote Similarity NPC174421
0.6765 Remote Similarity NPC5145
0.6758 Remote Similarity NPC118511
0.6755 Remote Similarity NPC72980
0.6751 Remote Similarity NPC267928
0.6744 Remote Similarity NPC318935
0.6738 Remote Similarity NPC288943
0.6737 Remote Similarity NPC212535
0.6736 Remote Similarity NPC230805
0.6722 Remote Similarity NPC26850
0.6704 Remote Similarity NPC63562
0.6699 Remote Similarity NPC294620
0.6686 Remote Similarity NPC280853
0.6684 Remote Similarity NPC144114
0.6683 Remote Similarity NPC470500
0.6683 Remote Similarity NPC18487
0.6683 Remote Similarity NPC8022
0.6683 Remote Similarity NPC470799
0.6667 Remote Similarity NPC66815
0.6667 Remote Similarity NPC477889
0.6667 Remote Similarity NPC18348
0.6667 Remote Similarity NPC256268
0.6667 Remote Similarity NPC94943
0.6667 Remote Similarity NPC472168
0.6652 Remote Similarity NPC218388
0.6648 Remote Similarity NPC63338
0.6648 Remote Similarity NPC322976
0.6648 Remote Similarity NPC324203
0.6647 Remote Similarity NPC245657
0.6647 Remote Similarity NPC285016
0.6634 Remote Similarity NPC223427
0.6633 Remote Similarity NPC324149
0.663 Remote Similarity NPC132680
0.663 Remote Similarity NPC269919
0.663 Remote Similarity NPC471178
0.6628 Remote Similarity NPC471596
0.6615 Remote Similarity NPC190007
0.6615 Remote Similarity NPC320394
0.6614 Remote Similarity NPC219848
0.6614 Remote Similarity NPC283152
0.6603 Remote Similarity NPC477110
0.6603 Remote Similarity NPC274982
0.6601 Remote Similarity NPC472259
0.6599 Remote Similarity NPC230403
0.6592 Remote Similarity NPC291609
0.6585 Remote Similarity NPC477111
0.6584 Remote Similarity NPC211813
0.6576 Remote Similarity NPC211187
0.6576 Remote Similarity NPC159319
0.6569 Remote Similarity NPC477113
0.6556 Remote Similarity NPC26872
0.6553 Remote Similarity NPC209769
0.6547 Remote Similarity NPC124300
0.6543 Remote Similarity NPC111624
0.6543 Remote Similarity NPC208060
0.6534 Remote Similarity NPC471598
0.6528 Remote Similarity NPC203635
0.6526 Remote Similarity NPC96890
0.6524 Remote Similarity NPC256828
0.6522 Remote Similarity NPC315214
0.6522 Remote Similarity NPC47298
0.652 Remote Similarity NPC475070
0.6517 Remote Similarity NPC128823
0.6513 Remote Similarity NPC46580
0.6513 Remote Similarity NPC74382
0.6513 Remote Similarity NPC206251
0.6513 Remote Similarity NPC66083
0.6512 Remote Similarity NPC328029
0.6509 Remote Similarity NPC213530
0.6509 Remote Similarity NPC193267
0.6509 Remote Similarity NPC473179
0.6492 Remote Similarity NPC88363
0.6486 Remote Similarity NPC32028
0.6486 Remote Similarity NPC263439
0.6477 Remote Similarity NPC243058
0.6473 Remote Similarity NPC469589
0.6471 Remote Similarity NPC476138
0.6471 Remote Similarity NPC245816
0.6462 Remote Similarity NPC197141
0.646 Remote Similarity NPC310618
0.6457 Remote Similarity NPC477861
0.6438 Remote Similarity NPC476451
0.6436 Remote Similarity NPC126481
0.6433 Remote Similarity NPC9336
0.6432 Remote Similarity NPC471177
0.6432 Remote Similarity NPC224632
0.6432 Remote Similarity NPC59779
0.6432 Remote Similarity NPC124542
0.6425 Remote Similarity NPC477891
0.6418 Remote Similarity NPC70956
0.6418 Remote Similarity NPC243834
0.6418 Remote Similarity NPC153042
0.6408 Remote Similarity NPC304183
0.6407 Remote Similarity NPC151489
0.6406 Remote Similarity NPC200888
0.6404 Remote Similarity NPC249040
0.6404 Remote Similarity NPC315957
0.6404 Remote Similarity NPC19872
0.6402 Remote Similarity NPC253810
0.6398 Remote Similarity NPC97367
0.6394 Remote Similarity NPC185782
0.6386 Remote Similarity NPC306376
0.6385 Remote Similarity NPC173080
0.6383 Remote Similarity NPC278874
0.6382 Remote Similarity NPC114335
0.6382 Remote Similarity NPC141915
0.6382 Remote Similarity NPC280964
0.6378 Remote Similarity NPC90415
0.6377 Remote Similarity NPC283117
0.6373 Remote Similarity NPC232727
0.6373 Remote Similarity NPC249662
0.6373 Remote Similarity NPC222592
0.6373 Remote Similarity NPC168486
0.6369 Remote Similarity NPC255721
0.6368 Remote Similarity NPC259545
0.6368 Remote Similarity NPC472193
0.6368 Remote Similarity NPC471294
0.6359 Remote Similarity NPC137929
0.6359 Remote Similarity NPC164374
0.6355 Remote Similarity NPC148409
0.6351 Remote Similarity NPC469592
0.6351 Remote Similarity NPC471080
0.635 Remote Similarity NPC329541
0.6346 Remote Similarity NPC470931
0.6346 Remote Similarity NPC287208
0.6343 Remote Similarity NPC471594
0.6341 Remote Similarity NPC291535
0.6341 Remote Similarity NPC475085
0.6341 Remote Similarity NPC475112
0.6335 Remote Similarity NPC303225
0.6333 Remote Similarity NPC294375
0.6321 Remote Similarity NPC42979
0.6316 Remote Similarity NPC174672
0.6316 Remote Similarity NPC105758
0.6316 Remote Similarity NPC476686
0.6316 Remote Similarity NPC174758
0.6316 Remote Similarity NPC476688
0.6313 Remote Similarity NPC242928
0.6311 Remote Similarity NPC476098
0.6311 Remote Similarity NPC475774
0.631 Remote Similarity NPC473057
0.6308 Remote Similarity NPC48938
0.6308 Remote Similarity NPC469594
0.6304 Remote Similarity NPC141353
0.6303 Remote Similarity NPC26679

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC95898 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
0.7277 Intermediate Similarity NPD1622 Discontinued
0.7158 Intermediate Similarity NPD6159 Phase 2
0.7077 Intermediate Similarity NPD1838 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD9695 Approved
0.6931 Remote Similarity NPD6227 Discontinued
0.6931 Remote Similarity NPD2762 Phase 2
0.6872 Remote Similarity NPD604 Clinical (unspecified phase)
0.6865 Remote Similarity NPD9690 Approved
0.6851 Remote Similarity NPD863 Approved
0.6851 Remote Similarity NPD861 Approved
0.6851 Remote Similarity NPD862 Approved
0.6845 Remote Similarity NPD1503 Clinical (unspecified phase)
0.6798 Remote Similarity NPD948 Phase 3
0.6782 Remote Similarity NPD6290 Phase 2
0.674 Remote Similarity NPD112 Approved
0.674 Remote Similarity NPD9705 Discontinued
0.6736 Remote Similarity NPD9714 Clinical (unspecified phase)
0.6733 Remote Similarity NPD5530 Phase 1
0.6732 Remote Similarity NPD1468 Clinical (unspecified phase)
0.6714 Remote Similarity NPD1603 Discontinued
0.6685 Remote Similarity NPD424 Approved
0.6685 Remote Similarity NPD2882 Phase 1
0.6685 Remote Similarity NPD425 Approved
0.6683 Remote Similarity NPD2175 Phase 3
0.6683 Remote Similarity NPD2177 Approved
0.6683 Remote Similarity NPD2176 Approved
0.665 Remote Similarity NPD4502 Phase 2
0.6648 Remote Similarity NPD9398 Clinical (unspecified phase)
0.663 Remote Similarity NPD9382 Approved
0.663 Remote Similarity NPD9383 Approved
0.6615 Remote Similarity NPD5083 Clinical (unspecified phase)
0.6615 Remote Similarity NPD5316 Approved
0.6604 Remote Similarity NPD7726 Phase 1
0.6593 Remote Similarity NPD935 Clinical (unspecified phase)
0.657 Remote Similarity NPD5936 Approved
0.657 Remote Similarity NPD5939 Approved
0.6566 Remote Similarity NPD6861 Clinical (unspecified phase)
0.655 Remote Similarity NPD712 Clinical (unspecified phase)
0.654 Remote Similarity NPD8109 Clinical (unspecified phase)
0.6538 Remote Similarity NPD4669 Clinical (unspecified phase)
0.6538 Remote Similarity NPD4670 Clinical (unspecified phase)
0.6538 Remote Similarity NPD4671 Clinical (unspecified phase)
0.6522 Remote Similarity NPD1685 Approved
0.6522 Remote Similarity NPD1684 Approved
0.6513 Remote Similarity NPD2383 Phase 1
0.651 Remote Similarity NPD7867 Phase 1
0.6505 Remote Similarity NPD4554 Clinical (unspecified phase)
0.6503 Remote Similarity NPD3433 Clinical (unspecified phase)
0.65 Remote Similarity NPD9706 Clinical (unspecified phase)
0.6495 Remote Similarity NPD6344 Clinical (unspecified phase)
0.648 Remote Similarity NPD408 Approved
0.6477 Remote Similarity NPD5522 Clinical (unspecified phase)
0.645 Remote Similarity NPD774 Phase 3
0.6438 Remote Similarity NPD7284 Clinical (unspecified phase)
0.6425 Remote Similarity NPD4203 Approved
0.6425 Remote Similarity NPD4204 Approved
0.6421 Remote Similarity NPD6492 Phase 2
0.6421 Remote Similarity NPD158 Discontinued
0.6411 Remote Similarity NPD2540 Clinical (unspecified phase)
0.6409 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6409 Remote Similarity NPD6158 Phase 2
0.6408 Remote Similarity NPD3932 Clinical (unspecified phase)
0.6406 Remote Similarity NPD7603 Discontinued
0.6404 Remote Similarity NPD1740 Approved
0.6404 Remote Similarity NPD1739 Approved
0.64 Remote Similarity NPD6590 Discontinued
0.6398 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6391 Remote Similarity NPD5352 Clinical (unspecified phase)
0.6383 Remote Similarity NPD2781 Approved
0.6382 Remote Similarity NPD9689 Approved
0.6382 Remote Similarity NPD4372 Phase 1
0.6377 Remote Similarity NPD3930 Clinical (unspecified phase)
0.6364 Remote Similarity NPD2780 Approved
0.6364 Remote Similarity NPD2782 Approved
0.6358 Remote Similarity NPD313 Approved
0.6351 Remote Similarity NPD2772 Clinical (unspecified phase)
0.6351 Remote Similarity NPD2314 Clinical (unspecified phase)
0.6348 Remote Similarity NPD3813 Approved
0.6348 Remote Similarity NPD1352 Discontinued
0.6346 Remote Similarity NPD2916 Discontinued
0.6345 Remote Similarity NPD6393 Clinical (unspecified phase)
0.6337 Remote Similarity NPD7948 Phase 1
0.6335 Remote Similarity NPD3746 Discontinued
0.6313 Remote Similarity NPD6965 Clinical (unspecified phase)
0.6305 Remote Similarity NPD7889 Clinical (unspecified phase)
0.6305 Remote Similarity NPD2727 Phase 2
0.6303 Remote Similarity NPD2794 Discontinued
0.63 Remote Similarity NPD5317 Clinical (unspecified phase)
0.6298 Remote Similarity NPD7222 Phase 2
0.6294 Remote Similarity NPD1095 Clinical (unspecified phase)
0.6292 Remote Similarity NPD3525 Discontinued
0.6291 Remote Similarity NPD2433 Clinical (unspecified phase)
0.6289 Remote Similarity NPD6452 Discontinued
0.6287 Remote Similarity NPD6550 Discontinued
0.6286 Remote Similarity NPD9506 Approved
0.6286 Remote Similarity NPD1166 Clinical (unspecified phase)
0.6283 Remote Similarity NPD3224 Phase 2
0.6281 Remote Similarity NPD1213 Phase 3
0.628 Remote Similarity NPD4795 Phase 2
0.6277 Remote Similarity NPD926 Approved
0.6277 Remote Similarity NPD925 Approved
0.6275 Remote Similarity NPD8396 Approved
0.6275 Remote Similarity NPD8395 Approved
0.6268 Remote Similarity NPD5863 Clinical (unspecified phase)
0.6256 Remote Similarity NPD4131 Phase 3
0.625 Remote Similarity NPD4305 Clinical (unspecified phase)
0.625 Remote Similarity NPD852 Discontinued
0.6239 Remote Similarity NPD3292 Discontinued
0.6237 Remote Similarity NPD5255 Approved
0.6237 Remote Similarity NPD3920 Phase 2
0.6235 Remote Similarity NPD9342 Approved
0.623 Remote Similarity NPD2123 Phase 3
0.6225 Remote Similarity NPD772 Phase 3
0.6224 Remote Similarity NPD725 Discontinued
0.6219 Remote Similarity NPD6569 Phase 2
0.6207 Remote Similarity NPD5512 Phase 3
0.6204 Remote Similarity NPD7194 Discontinued
0.62 Remote Similarity NPD3321 Discontinued
0.6195 Remote Similarity NPD9688 Approved
0.6195 Remote Similarity NPD9687 Approved
0.6193 Remote Similarity NPD1856 Discontinued
0.6193 Remote Similarity NPD204 Clinical (unspecified phase)
0.619 Remote Similarity NPD5658 Approved
0.6188 Remote Similarity NPD5575 Clinical (unspecified phase)
0.6186 Remote Similarity NPD3440 Clinical (unspecified phase)
0.6186 Remote Similarity NPD1744 Approved
0.6184 Remote Similarity NPD8116 Phase 3
0.6184 Remote Similarity NPD8117 Approved
0.618 Remote Similarity NPD1649 Discontinued
0.6179 Remote Similarity NPD3570 Phase 2
0.6176 Remote Similarity NPD1229 Phase 2
0.6175 Remote Similarity NPD5930 Phase 3
0.6172 Remote Similarity NPD3003 Approved
0.6164 Remote Similarity NPD6306 Phase 2
0.6164 Remote Similarity NPD3986 Discontinued
0.6158 Remote Similarity NPD6491 Clinical (unspecified phase)
0.6157 Remote Similarity NPD7067 Approved
0.6157 Remote Similarity NPD7068 Approved
0.615 Remote Similarity NPD6060 Clinical (unspecified phase)
0.615 Remote Similarity NPD4368 Phase 2
0.6143 Remote Similarity NPD7453 Approved
0.6143 Remote Similarity NPD7452 Approved
0.6136 Remote Similarity NPD6246 Approved
0.6135 Remote Similarity NPD1621 Discontinued
0.6133 Remote Similarity NPD3838 Phase 3
0.6129 Remote Similarity NPD2469 Approved
0.6129 Remote Similarity NPD2468 Approved
0.6124 Remote Similarity NPD7712 Clinical (unspecified phase)
0.6122 Remote Similarity NPD9510 Approved
0.6117 Remote Similarity NPD1768 Approved
0.6117 Remote Similarity NPD3814 Phase 1
0.6111 Remote Similarity NPD5164 Discontinued
0.6108 Remote Similarity NPD802 Phase 2
0.61 Remote Similarity NPD6141 Clinical (unspecified phase)
0.61 Remote Similarity NPD1034 Phase 3
0.61 Remote Similarity NPD1033 Clinical (unspecified phase)
0.6098 Remote Similarity NPD6769 Clinical (unspecified phase)
0.6098 Remote Similarity NPD6988 Phase 1
0.6094 Remote Similarity NPD4724 Clinical (unspecified phase)
0.6094 Remote Similarity NPD565 Phase 2
0.6093 Remote Similarity NPD5903 Approved
0.6093 Remote Similarity NPD5902 Approved
0.6087 Remote Similarity NPD308 Approved
0.6078 Remote Similarity NPD1602 Discontinued
0.6073 Remote Similarity NPD6298 Discontinued
0.6071 Remote Similarity NPD1505 Phase 2
0.6067 Remote Similarity NPD9076 Clinical (unspecified phase)
0.6062 Remote Similarity NPD2951 Discontinued
0.6058 Remote Similarity NPD917 Clinical (unspecified phase)
0.6055 Remote Similarity NPD3875 Discontinued
0.6053 Remote Similarity NPD444 Approved
0.6052 Remote Similarity NPD8324 Phase 2
0.6051 Remote Similarity NPD5100 Phase 3
0.6051 Remote Similarity NPD4354 Approved
0.605 Remote Similarity NPD5256 Discontinued
0.605 Remote Similarity NPD3039 Clinical (unspecified phase)
0.6047 Remote Similarity NPD2615 Phase 3
0.6047 Remote Similarity NPD9284 Approved
0.6047 Remote Similarity NPD2616 Phase 3
0.6047 Remote Similarity NPD3243 Approved
0.6045 Remote Similarity NPD1954 Phase 1
0.6045 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6045 Remote Similarity NPD8356 Approved
0.6042 Remote Similarity NPD6872 Clinical (unspecified phase)
0.604 Remote Similarity NPD8063 Discontinued
0.6039 Remote Similarity NPD4548 Discontinued
0.6038 Remote Similarity NPD2816 Clinical (unspecified phase)
0.6036 Remote Similarity NPD7676 Clinical (unspecified phase)
0.6036 Remote Similarity NPD1273 Discontinued
0.6036 Remote Similarity NPD7675 Phase 3
0.6036 Remote Similarity NPD7426 Phase 1
0.6036 Remote Similarity NPD7674 Phase 3
0.6034 Remote Similarity NPD5488 Discontinued
0.6033 Remote Similarity NPD3576 Approved
0.6033 Remote Similarity NPD3575 Approved
0.6031 Remote Similarity NPD6607 Clinical (unspecified phase)
0.6029 Remote Similarity NPD3931 Approved
0.6029 Remote Similarity NPD3928 Approved
0.6028 Remote Similarity NPD5416 Discontinued
0.6028 Remote Similarity NPD3779 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL1987496
ZINC  

Physicochemical Properties

Molecular Weight:  244.05
ALogP:  -0.9672
MLogP:  2.12
XLogP:  1.214
# Rotatable Bonds:  2
Polar Surface Area:  91.38
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  18

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs