Natural Product: NPC232958

Natural Product ID:  NPC232958
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H20O2
Standard InCHIKey:  WDBJFWOOWQREKA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C20H20O2/c1-10(2)15-18(21)13-7-6-11(3)12-8-9-14-17(16(12)13)19(15)22-20(14,4)5/h6-10H,1-5H3
Canonical SMILES:  CC(C1=C2OC(c3c2c2c(C1=O)ccc(c2cc3)C)(C)C)C
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
NPO5743 Salvia miltiorrhiza Species Lamiaceae Eukaryota TCM_Taiwan*
NPO5800 Radix salviae Species Lymnaeidae Eukaryota TCMSP*
NPO14992 Prunus persica Species Rosaceae Eukaryota TCMID*
NPO5743 Salvia miltiorrhiza Species Lamiaceae Eukaryota TCMID*

  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
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 70469.31 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 84527.88 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 19453.6 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 16557.7 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 32210.69 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 39264.49 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 59292.53 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 13803.84 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 26363.31 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 15631.48 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 79799.47 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 19543.39 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 44668.36 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
NPT384 Cell Line TK-10 Homo sapiens GI50 66988.46 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 26791.68 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 54325.03 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 45081.67 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 43651.58 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 65463.62 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 26485 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 17021.59 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 55462.57 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 26363.31 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 39810.72 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 53088.44 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 32508.73 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 34673.69 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 44668.36 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 63533.09 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 14521.12 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 53456.44 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 31841.98 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 50933.09 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 59703.53 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 88307.99 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 55335.01 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 8356.03 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 30549.21 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 66680.68 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 48417.24 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 5395.11 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 13835.66 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 91622.05 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 17418.07 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 31332.86 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 NPC232958 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
0.9397 High Similarity NPC144547
0.931 High Similarity NPC289432
0.931 High Similarity NPC988
0.8983 High Similarity NPC77000
0.8983 High Similarity NPC238861
0.8957 High Similarity NPC474095
0.8879 High Similarity NPC135730
0.8793 High Similarity NPC228936
0.8696 High Similarity NPC212415
0.8689 High Similarity NPC51079
0.8621 High Similarity NPC13784
0.8417 Intermediate Similarity NPC228318
0.839 Intermediate Similarity NPC477411
0.839 Intermediate Similarity NPC196075
0.8372 Intermediate Similarity NPC183103
0.8333 Intermediate Similarity NPC51292
0.8291 Intermediate Similarity NPC474057
0.8291 Intermediate Similarity NPC291799
0.8268 Intermediate Similarity NPC428300
0.825 Intermediate Similarity NPC226093
0.8235 Intermediate Similarity NPC67377
0.8235 Intermediate Similarity NPC326664
0.822 Intermediate Similarity NPC79496
0.8205 Intermediate Similarity NPC273837
0.819 Intermediate Similarity NPC203732
0.8182 Intermediate Similarity NPC309056
0.8175 Intermediate Similarity NPC295664
0.8167 Intermediate Similarity NPC474408
0.8136 Intermediate Similarity NPC210089
0.8103 Intermediate Similarity NPC30594
0.8103 Intermediate Similarity NPC37622
0.8067 Intermediate Similarity NPC292834
0.8067 Intermediate Similarity NPC66208
0.8065 Intermediate Similarity NPC476225
0.8049 Intermediate Similarity NPC318173
0.803 Intermediate Similarity NPC470406
0.803 Intermediate Similarity NPC310662
0.8017 Intermediate Similarity NPC470764
0.8017 Intermediate Similarity NPC209632
0.8015 Intermediate Similarity NPC239134
0.8 Intermediate Similarity NPC471832
0.8 Intermediate Similarity NPC247976
0.8 Intermediate Similarity NPC472981
0.8 Intermediate Similarity NPC128368
0.8 Intermediate Similarity NPC143768
0.7966 Intermediate Similarity NPC192577
0.7965 Intermediate Similarity NPC49994
0.7953 Intermediate Similarity NPC318067
0.7953 Intermediate Similarity NPC85511
0.7941 Intermediate Similarity NPC470407
0.7937 Intermediate Similarity NPC167323
0.7937 Intermediate Similarity NPC269923
0.7934 Intermediate Similarity NPC196673
0.7934 Intermediate Similarity NPC307651
0.7931 Intermediate Similarity NPC114594
0.7926 Intermediate Similarity NPC186647
0.7923 Intermediate Similarity NPC96024
0.7917 Intermediate Similarity NPC186128
0.7907 Intermediate Similarity NPC474737
0.7881 Intermediate Similarity NPC470391
0.7879 Intermediate Similarity NPC279596
0.7879 Intermediate Similarity NPC164295
0.7869 Intermediate Similarity NPC210092
0.7869 Intermediate Similarity NPC221275
0.7869 Intermediate Similarity NPC274839
0.7869 Intermediate Similarity NPC186933
0.7863 Intermediate Similarity NPC57552
0.7863 Intermediate Similarity NPC134120
0.7846 Intermediate Similarity NPC51448
0.7846 Intermediate Similarity NPC478162
0.7846 Intermediate Similarity NPC478165
0.7846 Intermediate Similarity NPC115797
0.7842 Intermediate Similarity NPC117674
0.7836 Intermediate Similarity NPC212207
0.7836 Intermediate Similarity NPC324117
0.7833 Intermediate Similarity NPC474157
0.7823 Intermediate Similarity NPC61651
0.7823 Intermediate Similarity NPC45794
0.7815 Intermediate Similarity NPC83628
0.7815 Intermediate Similarity NPC265407
0.7815 Intermediate Similarity NPC269023
0.7815 Intermediate Similarity NPC99846
0.7815 Intermediate Similarity NPC318327
0.7805 Intermediate Similarity NPC260886
0.7797 Intermediate Similarity NPC100767
0.7769 Intermediate Similarity NPC280789
0.7769 Intermediate Similarity NPC177925
0.7742 Intermediate Similarity NPC158157
0.7739 Intermediate Similarity NPC325497
0.7737 Intermediate Similarity NPC233707
0.773 Intermediate Similarity NPC478166
0.7727 Intermediate Similarity NPC147561
0.7724 Intermediate Similarity NPC93181
0.7721 Intermediate Similarity NPC475549
0.7721 Intermediate Similarity NPC471670
0.7719 Intermediate Similarity NPC239185
0.7717 Intermediate Similarity NPC50872
0.7712 Intermediate Similarity NPC172483
0.7704 Intermediate Similarity NPC209858
0.7704 Intermediate Similarity NPC23894
0.7699 Intermediate Similarity NPC260233
0.7698 Intermediate Similarity NPC204784
0.7692 Intermediate Similarity NPC470765
0.7692 Intermediate Similarity NPC121272
0.7686 Intermediate Similarity NPC167504
0.7686 Intermediate Similarity NPC265513
0.7686 Intermediate Similarity NPC137315
0.768 Intermediate Similarity NPC80605
0.768 Intermediate Similarity NPC268930
0.768 Intermediate Similarity NPC222968
0.768 Intermediate Similarity NPC469954
0.768 Intermediate Similarity NPC323440
0.7679 Intermediate Similarity NPC153885
0.7676 Intermediate Similarity NPC281398
0.7674 Intermediate Similarity NPC328107
0.7669 Intermediate Similarity NPC27659
0.7661 Intermediate Similarity NPC149691
0.766 Intermediate Similarity NPC245522
0.766 Intermediate Similarity NPC114513
0.766 Intermediate Similarity NPC27798
0.766 Intermediate Similarity NPC290038
0.766 Intermediate Similarity NPC93241
0.7652 Intermediate Similarity NPC134882
0.7647 Intermediate Similarity NPC95485
0.7647 Intermediate Similarity NPC88065
0.7647 Intermediate Similarity NPC89504
0.7642 Intermediate Similarity NPC471721
0.7642 Intermediate Similarity NPC241851
0.7638 Intermediate Similarity NPC473243
0.7634 Intermediate Similarity NPC470753
0.7634 Intermediate Similarity NPC473220
0.763 Intermediate Similarity NPC263817
0.7623 Intermediate Similarity NPC270699
0.7623 Intermediate Similarity NPC82899
0.7622 Intermediate Similarity NPC478163
0.7615 Intermediate Similarity NPC472694
0.7615 Intermediate Similarity NPC199273
0.7615 Intermediate Similarity NPC246166
0.7615 Intermediate Similarity NPC472693
0.7615 Intermediate Similarity NPC75432
0.7615 Intermediate Similarity NPC164014
0.7611 Intermediate Similarity NPC238219
0.7609 Intermediate Similarity NPC475104
0.7607 Intermediate Similarity NPC45613
0.7603 Intermediate Similarity NPC214067
0.7603 Intermediate Similarity NPC196246
0.76 Intermediate Similarity NPC190298
0.7594 Intermediate Similarity NPC276238
0.7591 Intermediate Similarity NPC307401
0.7589 Intermediate Similarity NPC133461
0.7586 Intermediate Similarity NPC476042
0.7581 Intermediate Similarity NPC476357
0.7576 Intermediate Similarity NPC72667
0.7574 Intermediate Similarity NPC1249
0.7574 Intermediate Similarity NPC474659
0.7569 Intermediate Similarity NPC474107
0.7565 Intermediate Similarity NPC265220
0.7563 Intermediate Similarity NPC105899
0.7561 Intermediate Similarity NPC272524
0.7561 Intermediate Similarity NPC93287
0.7561 Intermediate Similarity NPC470253
0.7557 Intermediate Similarity NPC476599
0.7557 Intermediate Similarity NPC470858
0.7556 Intermediate Similarity NPC472656
0.7542 Intermediate Similarity NPC274443
0.7542 Intermediate Similarity NPC89886
0.7542 Intermediate Similarity NPC60679
0.7542 Intermediate Similarity NPC301943
0.7542 Intermediate Similarity NPC329556
0.7542 Intermediate Similarity NPC474365
0.7541 Intermediate Similarity NPC1082
0.7541 Intermediate Similarity NPC475002
0.7541 Intermediate Similarity NPC95126
0.7541 Intermediate Similarity NPC305912
0.7538 Intermediate Similarity NPC472704
0.7537 Intermediate Similarity NPC470278
0.7536 Intermediate Similarity NPC290601
0.7536 Intermediate Similarity NPC301341
0.7536 Intermediate Similarity NPC118366
0.7535 Intermediate Similarity NPC472836
0.7535 Intermediate Similarity NPC308006
0.7522 Intermediate Similarity NPC155232
0.7521 Intermediate Similarity NPC70624
0.7521 Intermediate Similarity NPC109514
0.7521 Intermediate Similarity NPC17417
0.7521 Intermediate Similarity NPC42211
0.7521 Intermediate Similarity NPC476993
0.7521 Intermediate Similarity NPC10251
0.7521 Intermediate Similarity NPC112552
0.7519 Intermediate Similarity NPC59502
0.7519 Intermediate Similarity NPC48248
0.7518 Intermediate Similarity NPC22644
0.7518 Intermediate Similarity NPC86455
0.7518 Intermediate Similarity NPC217914
0.7518 Intermediate Similarity NPC137920
0.7518 Intermediate Similarity NPC125134
0.75 Intermediate Similarity NPC203486
0.75 Intermediate Similarity NPC254492
0.75 Intermediate Similarity NPC277277
0.75 Intermediate Similarity NPC329913

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC232958 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
0.8983 High Similarity NPD3412 Clinical (unspecified phase)
0.8696 High Similarity NPD1609 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7983 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7869 Intermediate Similarity NPD5951 Approved
0.7752 Intermediate Similarity NPD1876 Approved
0.7734 Intermediate Similarity NPD3972 Approved
0.7727 Intermediate Similarity NPD7008 Discontinued
0.7719 Intermediate Similarity NPD3495 Discontinued
0.7698 Intermediate Similarity NPD1651 Approved
0.7638 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7542 Intermediate Similarity NPD1929 Approved
0.7542 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7542 Intermediate Similarity NPD1930 Approved
0.7541 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7521 Intermediate Similarity NPD2182 Approved
0.7519 Intermediate Similarity NPD1281 Approved
0.7519 Intermediate Similarity NPD6287 Discontinued
0.75 Intermediate Similarity NPD2798 Approved
0.7482 Intermediate Similarity NPD2346 Discontinued
0.7479 Intermediate Similarity NPD5909 Discontinued
0.7462 Intermediate Similarity NPD4878 Approved
0.7447 Intermediate Similarity NPD7003 Approved
0.7436 Intermediate Similarity NPD1238 Approved
0.7407 Intermediate Similarity NPD3764 Approved
0.7368 Intermediate Similarity NPD7631 Approved
0.7357 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7357 Intermediate Similarity NPD1471 Phase 3
0.7348 Intermediate Similarity NPD1283 Approved
0.7333 Intermediate Similarity NPD164 Approved
0.7302 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD2979 Phase 3
0.7288 Intermediate Similarity NPD2066 Phase 3
0.7281 Intermediate Similarity NPD7609 Phase 3
0.7236 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7236 Approved
0.7214 Intermediate Similarity NPD2799 Discontinued
0.7209 Intermediate Similarity NPD7009 Phase 2
0.7179 Intermediate Similarity NPD1989 Approved
0.7176 Intermediate Similarity NPD4879 Approved
0.7174 Intermediate Similarity NPD4307 Phase 2
0.7167 Intermediate Similarity NPD1932 Approved
0.7153 Intermediate Similarity NPD2313 Discontinued
0.7152 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD7610 Discontinued
0.7121 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD2344 Approved
0.7111 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD8032 Phase 2
0.7101 Intermediate Similarity NPD7713 Phase 3
0.7099 Intermediate Similarity NPD2932 Approved
0.7097 Intermediate Similarity NPD2329 Discontinued
0.7095 Intermediate Similarity NPD7239 Suspended
0.7092 Intermediate Similarity NPD3748 Approved
0.7087 Intermediate Similarity NPD1241 Discontinued
0.708 Intermediate Similarity NPD650 Approved
0.7075 Intermediate Similarity NPD6273 Approved
0.7049 Intermediate Similarity NPD1237 Approved
0.7047 Intermediate Similarity NPD3226 Approved
0.7047 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD2531 Phase 2
0.7042 Intermediate Similarity NPD2438 Suspended
0.7037 Intermediate Similarity NPD3266 Approved
0.7037 Intermediate Similarity NPD3267 Approved
0.7023 Intermediate Similarity NPD3024 Approved
0.7023 Intermediate Similarity NPD3025 Approved
0.7009 Intermediate Similarity NPD1202 Approved
0.7008 Intermediate Similarity NPD7094 Approved
0.7008 Intermediate Similarity NPD6858 Approved
0.6992 Remote Similarity NPD1201 Approved
0.6985 Remote Similarity NPD2788 Approved
0.6977 Remote Similarity NPD3317 Approved
0.6972 Remote Similarity NPD4308 Phase 3
0.697 Remote Similarity NPD17 Approved
0.697 Remote Similarity NPD3019 Approved
0.6957 Remote Similarity NPD6039 Approved
0.6949 Remote Similarity NPD688 Clinical (unspecified phase)
0.6933 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6933 Remote Similarity NPD7458 Discontinued
0.6923 Remote Similarity NPD1508 Approved
0.6923 Remote Similarity NPD2796 Approved
0.6918 Remote Similarity NPD2309 Approved
0.6917 Remote Similarity NPD3026 Approved
0.6917 Remote Similarity NPD3023 Approved
0.6912 Remote Similarity NPD2797 Approved
0.6912 Remote Similarity NPD1470 Approved
0.6906 Remote Similarity NPD3268 Approved
0.6897 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6894 Remote Similarity NPD5691 Approved
0.6864 Remote Similarity NPD1563 Approved
0.6849 Remote Similarity NPD3750 Approved
0.6849 Remote Similarity NPD4628 Phase 3
0.6842 Remote Similarity NPD5125 Phase 3
0.6842 Remote Similarity NPD5126 Approved
0.6829 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6815 Remote Similarity NPD1608 Approved
0.6807 Remote Similarity NPD1693 Approved
0.6806 Remote Similarity NPD5404 Approved
0.6806 Remote Similarity NPD5406 Approved
0.6806 Remote Similarity NPD5408 Approved
0.6806 Remote Similarity NPD5405 Approved
0.6803 Remote Similarity NPD3295 Clinical (unspecified phase)
0.68 Remote Similarity NPD3869 Phase 3
0.68 Remote Similarity NPD3873 Phase 3
0.6783 Remote Similarity NPD1087 Approved
0.6781 Remote Similarity NPD1243 Approved
0.6779 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6772 Remote Similarity NPD2067 Discontinued
0.6772 Remote Similarity NPD5236 Approved
0.6772 Remote Similarity NPD5239 Approved
0.6772 Remote Similarity NPD5235 Approved
0.6772 Remote Similarity NPD5240 Approved
0.6772 Remote Similarity NPD5237 Approved
0.6767 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6763 Remote Similarity NPD6832 Phase 2
0.6763 Remote Similarity NPD7055 Discontinued
0.6759 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6753 Remote Similarity NPD7819 Suspended
0.675 Remote Similarity NPD1843 Approved
0.6741 Remote Similarity NPD1611 Approved
0.6739 Remote Similarity NPD4980 Approved
0.6736 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6723 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6718 Remote Similarity NPD4198 Discontinued
0.6716 Remote Similarity NPD4626 Approved
0.6713 Remote Similarity NPD1607 Approved
0.6696 Remote Similarity NPD942 Approved
0.6696 Remote Similarity NPD9259 Approved
0.6696 Remote Similarity NPD9257 Approved
0.6695 Remote Similarity NPD1239 Approved
0.6694 Remote Similarity NPD1564 Approved
0.6694 Remote Similarity NPD1566 Phase 3
0.6694 Remote Similarity NPD1565 Approved
0.669 Remote Similarity NPD6100 Approved
0.669 Remote Similarity NPD2935 Discontinued
0.669 Remote Similarity NPD6099 Approved
0.6667 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3895 Approved
0.6667 Remote Similarity NPD4947 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3897 Approved
0.6667 Remote Similarity NPD7057 Phase 3
0.6667 Remote Similarity NPD3896 Approved
0.6667 Remote Similarity NPD7058 Phase 2
0.6667 Remote Similarity NPD3898 Approved
0.6667 Remote Similarity NPD405 Clinical (unspecified phase)
0.6646 Remote Similarity NPD5494 Approved
0.6644 Remote Similarity NPD7611 Approved
0.6644 Remote Similarity NPD2353 Approved
0.6644 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6641 Remote Similarity NPD2629 Approved
0.6624 Remote Similarity NPD3749 Approved
0.6622 Remote Similarity NPD8166 Discontinued
0.6622 Remote Similarity NPD6398 Clinical (unspecified phase)
0.662 Remote Similarity NPD7961 Discontinued
0.6617 Remote Similarity NPD6065 Approved
0.6615 Remote Similarity NPD7635 Approved
0.661 Remote Similarity NPD1090 Approved
0.661 Remote Similarity NPD1089 Approved
0.661 Remote Similarity NPD1086 Approved
0.6603 Remote Similarity NPD5977 Approved
0.6603 Remote Similarity NPD5978 Approved
0.66 Remote Similarity NPD7390 Discontinued
0.6597 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6596 Remote Similarity NPD4625 Phase 3
0.6596 Remote Similarity NPD6966 Discovery
0.6594 Remote Similarity NPD5667 Approved
0.6593 Remote Similarity NPD2345 Approved
0.6581 Remote Similarity NPD6279 Approved
0.6581 Remote Similarity NPD6280 Approved
0.6579 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6577 Remote Similarity NPD3887 Approved
0.6575 Remote Similarity NPD4476 Approved
0.6575 Remote Similarity NPD4477 Approved
0.6573 Remote Similarity NPD3373 Approved
0.6573 Remote Similarity NPD3140 Approved
0.6573 Remote Similarity NPD3142 Approved
0.6573 Remote Similarity NPD1240 Approved
0.6569 Remote Similarity NPD6637 Approved
0.6567 Remote Similarity NPD9545 Approved
0.6567 Remote Similarity NPD7741 Discontinued
0.6567 Remote Similarity NPD2106 Clinical (unspecified phase)
0.6558 Remote Similarity NPD7028 Phase 2
0.6558 Remote Similarity NPD6585 Discontinued
0.6556 Remote Similarity NPD2532 Approved
0.6556 Remote Similarity NPD2533 Approved
0.6556 Remote Similarity NPD2534 Approved
0.6547 Remote Similarity NPD1164 Approved
0.6543 Remote Similarity NPD7473 Discontinued
0.6541 Remote Similarity NPD710 Clinical (unspecified phase)
0.6533 Remote Similarity NPD3300 Phase 2
0.6533 Remote Similarity NPD643 Clinical (unspecified phase)
0.6525 Remote Similarity NPD800 Approved
0.6522 Remote Similarity NPD5157 Phase 1
0.6522 Remote Similarity NPD5159 Phase 2
0.6522 Remote Similarity NPD5327 Phase 3
0.6522 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6522 Remote Similarity NPD182 Clinical (unspecified phase)
0.6519 Remote Similarity NPD5585 Approved
0.6513 Remote Similarity NPD5049 Phase 3

Structure

External Identifiers

PubChem CID   389885
ChEMBL   CHEMBL1997332
ZINC  

Physicochemical Properties

Molecular Weight:  292.15
ALogP:  1.2165
MLogP:  3.44
XLogP:  5.828
# Rotatable Bonds:  6
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  22

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