Natural Product: NPC82623

Natural Product ID:  NPC82623
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H50O2
Standard InCHIKey:  JSPGKOBNHWTKNT-CPGXJQKCSA-N
Standard InCHI:  InChI=1S/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h8,14,20-24,31-32H,9-13,15-19H2,1-7H3/b14-8+/t20-,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1
Canonical SMILES:  C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)C)C/C=C/C(O)(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
NPO29450 Streptomyces parvisporogenes Species Streptomycetaceae Bacteria UNPD*
NPO29004 Ruta pinnata Species Rutaceae Eukaryota UNPD*
NPO29381 Trichilia rubescens Species Meliaceae Eukaryota UNPD*
NPO28784 Alseodaphne corneri Species Lauraceae Eukaryota UNPD*
NPO14132 Pseudonocardia compacta Species Pseudonocardiaceae Bacteria UNPD*
NPO28805 Thymus piperella Species Lamiaceae Eukaryota UNPD*
NPO29510 Aulacocephalus temmincki Species Serranidae Eukaryota UNPD*
NPO9157 Rubrivivax gelatinosus Species NA Bacteria UNPD*
NPO29363 Aconitum nevadense Species Ranunculaceae Eukaryota UNPD*
NPO9713 Philotheca myoporoides Species Rutaceae Eukaryota UNPD*
NPO3744 Polycephalomyces nipponicus Species Ophiocordycipitaceae Eukaryota UNPD*
NPO16020 Corydalis taliensis Species Papaveraceae Eukaryota UNPD*
NPO27269 Annona impressivenia Species Annonaceae Eukaryota UNPD*
NPO29068 Papilio phorcas Species Papilionidae Eukaryota UNPD*
NPO28971 Bersama yangambiensis Species Melianthaceae Eukaryota UNPD*
NPO25772 Lippia mexicana Species Verbenaceae Eukaryota Leaves PMID[20942442]
NPO10985 Scutellaria discolor Species Lamiaceae Eukaryota UNPD*
NPO28949 Croton cumingii Species Euphorbiaceae Eukaryota UNPD*
NPO25772 Lippia mexicana Species Verbenaceae Eukaryota Stems PMID[20942442]
NPO29242 Salvia dorrii Species Lamiaceae Eukaryota UNPD*
NPO8578 Acacia rhodoxylon Species Fabaceae Eukaryota UNPD*
NPO25772 Lippia mexicana Species Verbenaceae Eukaryota Flowers PMID[20942442]
NPO29344 Parabenzoin trilobum NA NA NA UNPD*
NPO29400 Conocephalum japonicum Species Conocephalaceae Eukaryota UNPD*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TCM_Taiwan*
NPO13608 Plumbago zeylanica Species Plumbaginaceae Eukaryota UNPD*
NPO28845 Eragrostis viscosa Species Poaceae Eukaryota UNPD*
NPO12595 Euphorbia royleana Species Euphorbiaceae Eukaryota TCMID*
NPO14643 Eriocephalus scariosus Species Asteraceae Eukaryota UNPD*
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota UNPD*
NPO28824 Forsteronia refracta Species Apocynaceae Eukaryota UNPD*
NPO20598 Lythrum salicaria Species Lythraceae Eukaryota TCMID*
NPO29292 Teucrium depressum Species Lamiaceae Eukaryota UNPD*
NPO28918 Ophiolepis superba Species Ophiolepididae Eukaryota UNPD*
NPO29142 Kaunia saltensis Species Asteraceae Eukaryota UNPD*
NPO3099 Euphorbia esula Species Euphorbiaceae Eukaryota UNPD*
NPO16468 Brya ebenus Species Fabaceae Eukaryota UNPD*
NPO27743 Aaptos aaptos Species Suberitidae Eukaryota UNPD*
NPO4055 Aspergillus unguis Species Aspergillaceae Eukaryota UNPD*
NPO13818 Narcissus concolor Species Amaryllidaceae Eukaryota UNPD*
NPO25981 Crinipellis scabella Species Marasmiaceae Eukaryota UNPD*
NPO29203 Gymnocarpium robertianum Species Cystopteridaceae Eukaryota UNPD*
NPO29446 Stevia polycephala Species Asteraceae Eukaryota UNPD*
NPO14451 Rabdosia macrocalyx Species Lamiaceae Eukaryota UNPD*
NPO3340 Fridericia chica Species Bignoniaceae Eukaryota UNPD*
NPO28898 Grewia mollis Species Malvaceae Eukaryota UNPD*
NPO12279 Roldana sessilifolia Species Asteraceae Eukaryota UNPD*
NPO29189 Castanopsis sclerophylla Species Fagaceae Eukaryota UNPD*
NPO29530 Kaempferia marginata Species Zingiberaceae Eukaryota UNPD*
NPO1245 Eunicella cavolinii Species Gorgoniidae Eukaryota UNPD*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota UNPD*
NPO15197 Amberboa ramosa Species Asteraceae Eukaryota UNPD*
NPO29225 Oncoba echinata Species Salicaceae Eukaryota UNPD*
NPO29154 Heliotropium floridum Species Heliotropiaceae Eukaryota UNPD*
NPO29047 Disynaphia halimifolia Species Asteraceae Eukaryota UNPD*
NPO4831 Meridiastra calcar Species Asterinidae Eukaryota UNPD*
NPO4244 Doodia picta Species Blechnaceae Eukaryota UNPD*
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota UNPD*
NPO26192 Cordylanthus kingii Species Orobanchaceae Eukaryota UNPD*
NPO28937 Heterotheca grandiflora Species Asteraceae Eukaryota UNPD*
NPO29488 Sophora angustifolia Species Fabaceae Eukaryota UNPD*
NPO29276 Juglans nigra Species Juglandaceae Eukaryota UNPD*
NPO29127 Cystophora scalaris Species Sargassaceae Eukaryota UNPD*
NPO2791 Macfadyena cynanchoides Species Bignoniaceae Eukaryota UNPD*
NPO29415 Hovenia acerba Species Rhamnaceae Eukaryota UNPD*
NPO16315 Xylopia columbiana Species Annonaceae Eukaryota UNPD*
NPO5233 Acer pycnanthum Species Sapindaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Inhibition = 41.2 % 20942442
NPT367 Cell Line MDA-N Homo sapiens GI50 34119.29 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 13031.67 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 6353.31 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 11271.97 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 23280.91 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 16826.74 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 15417 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 6309.57 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 20989.4 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 50466.13 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 9908.32 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 13583.13 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 5140.44 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 14757.07 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 17418.07 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 14387.99 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 25527.01 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 15417 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 12971.79 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 18365.38 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 24660.39 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 2371.37 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 17782.79 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 10256.52 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 15848.93 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 16865.53 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 11748.98 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 34119.29 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 17258.38 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 14689.26 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 20323.57 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 18238.96 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 17139.57 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 14060.48 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 1936.42 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 26302.68 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 35237.09 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 32136.61 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 23014.42 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 27039.58 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 26121.61 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 20464.45 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 22387.21 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 16557.7 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 20892.96 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 11220.18 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 17947.34 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 26001.6 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 17060.82 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 18793.17 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 NPC82623 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
0.9744 High Similarity NPC134481
0.9615 High Similarity NPC296701
0.9615 High Similarity NPC218616
0.925 High Similarity NPC470558
0.9125 High Similarity NPC49964
0.9125 High Similarity NPC87489
0.9103 High Similarity NPC285761
0.9103 High Similarity NPC85346
0.9103 High Similarity NPC302041
0.9103 High Similarity NPC65897
0.9103 High Similarity NPC11908
0.9103 High Similarity NPC472342
0.9059 High Similarity NPC275671
0.9024 High Similarity NPC470360
0.9 High Similarity NPC264245
0.8987 High Similarity NPC80530
0.8987 High Similarity NPC30986
0.8987 High Similarity NPC209430
0.8987 High Similarity NPC273410
0.8974 High Similarity NPC257191
0.8974 High Similarity NPC470711
0.8974 High Similarity NPC331618
0.8974 High Similarity NPC470758
0.8929 High Similarity NPC67872
0.8916 High Similarity NPC299068
0.8916 High Similarity NPC261266
0.8916 High Similarity NPC139724
0.8902 High Similarity NPC470077
0.8902 High Similarity NPC474047
0.8902 High Similarity NPC231310
0.8902 High Similarity NPC205845
0.8875 High Similarity NPC209944
0.8875 High Similarity NPC241290
0.8875 High Similarity NPC322313
0.8875 High Similarity NPC102253
0.8875 High Similarity NPC236237
0.8875 High Similarity NPC13554
0.8875 High Similarity NPC164840
0.8875 High Similarity NPC234193
0.8861 High Similarity NPC244385
0.8861 High Similarity NPC312328
0.8861 High Similarity NPC6978
0.8861 High Similarity NPC167037
0.8861 High Similarity NPC138621
0.8846 High Similarity NPC470749
0.8846 High Similarity NPC237460
0.8795 High Similarity NPC274448
0.8795 High Similarity NPC22133
0.8795 High Similarity NPC318390
0.878 High Similarity NPC113978
0.878 High Similarity NPC475789
0.8765 High Similarity NPC47761
0.875 High Similarity NPC47982
0.875 High Similarity NPC28862
0.875 High Similarity NPC143182
0.875 High Similarity NPC81306
0.875 High Similarity NPC84694
0.875 High Similarity NPC109546
0.8718 High Similarity NPC70982
0.8718 High Similarity NPC185536
0.8718 High Similarity NPC230704
0.8706 High Similarity NPC133588
0.869 High Similarity NPC6391
0.8675 High Similarity NPC238485
0.8675 High Similarity NPC15534
0.8659 High Similarity NPC101462
0.8659 High Similarity NPC202389
0.8659 High Similarity NPC470049
0.8659 High Similarity NPC50964
0.8625 High Similarity NPC301707
0.8625 High Similarity NPC474216
0.8621 High Similarity NPC110923
0.8621 High Similarity NPC74296
0.8608 High Similarity NPC134330
0.8608 High Similarity NPC129165
0.8608 High Similarity NPC247325
0.8608 High Similarity NPC244488
0.8608 High Similarity NPC189883
0.8605 High Similarity NPC138974
0.859 High Similarity NPC145552
0.859 High Similarity NPC201048
0.859 High Similarity NPC476366
0.859 High Similarity NPC196358
0.859 High Similarity NPC49168
0.859 High Similarity NPC254509
0.859 High Similarity NPC5046
0.8588 High Similarity NPC149224
0.8571 High Similarity NPC157257
0.8554 High Similarity NPC477818
0.8554 High Similarity NPC207013
0.8554 High Similarity NPC141941
0.8554 High Similarity NPC193870
0.8554 High Similarity NPC474634
0.8554 High Similarity NPC317458
0.8537 High Similarity NPC23852
0.8537 High Similarity NPC209620
0.8523 High Similarity NPC476304
0.8519 High Similarity NPC1319
0.8506 High Similarity NPC3345
0.8506 High Similarity NPC291484
0.8506 High Similarity NPC11216
0.8506 High Similarity NPC329596
0.8506 High Similarity NPC204188
0.8506 High Similarity NPC295668
0.8506 High Similarity NPC80561
0.85 High Similarity NPC34019
0.85 High Similarity NPC248830
0.85 High Similarity NPC212241
0.85 High Similarity NPC119355
0.85 High Similarity NPC91594
0.85 High Similarity NPC155986
0.85 High Similarity NPC318495
0.85 High Similarity NPC214570
0.85 High Similarity NPC198968
0.8488 Intermediate Similarity NPC4574
0.8488 Intermediate Similarity NPC212596
0.8481 Intermediate Similarity NPC3403
0.8481 Intermediate Similarity NPC200243
0.8481 Intermediate Similarity NPC257347
0.8481 Intermediate Similarity NPC471723
0.8481 Intermediate Similarity NPC103822
0.8481 Intermediate Similarity NPC141071
0.8471 Intermediate Similarity NPC269058
0.8471 Intermediate Similarity NPC94462
0.8471 Intermediate Similarity NPC71520
0.8471 Intermediate Similarity NPC6605
0.8462 Intermediate Similarity NPC195489
0.8452 Intermediate Similarity NPC127606
0.8452 Intermediate Similarity NPC474493
0.8452 Intermediate Similarity NPC475798
0.8452 Intermediate Similarity NPC185568
0.8444 Intermediate Similarity NPC160056
0.8434 Intermediate Similarity NPC189972
0.8434 Intermediate Similarity NPC30166
0.8427 Intermediate Similarity NPC476186
0.8415 Intermediate Similarity NPC236112
0.8415 Intermediate Similarity NPC295131
0.8409 Intermediate Similarity NPC41554
0.8409 Intermediate Similarity NPC97404
0.8395 Intermediate Similarity NPC473943
0.8395 Intermediate Similarity NPC275910
0.8395 Intermediate Similarity NPC472501
0.8391 Intermediate Similarity NPC101886
0.8391 Intermediate Similarity NPC470361
0.8375 Intermediate Similarity NPC240604
0.8375 Intermediate Similarity NPC113733
0.8375 Intermediate Similarity NPC73875
0.8375 Intermediate Similarity NPC321016
0.8375 Intermediate Similarity NPC107059
0.8375 Intermediate Similarity NPC265588
0.8375 Intermediate Similarity NPC202642
0.8375 Intermediate Similarity NPC470362
0.8375 Intermediate Similarity NPC321381
0.8375 Intermediate Similarity NPC300324
0.8375 Intermediate Similarity NPC46160
0.8375 Intermediate Similarity NPC91573
0.8372 Intermediate Similarity NPC470620
0.8372 Intermediate Similarity NPC89747
0.8372 Intermediate Similarity NPC304083
0.8354 Intermediate Similarity NPC469534
0.8354 Intermediate Similarity NPC469593
0.8354 Intermediate Similarity NPC476736
0.8354 Intermediate Similarity NPC469533
0.8353 Intermediate Similarity NPC266511
0.8333 Intermediate Similarity NPC84383
0.8333 Intermediate Similarity NPC111234
0.8333 Intermediate Similarity NPC110778
0.8333 Intermediate Similarity NPC470384
0.8333 Intermediate Similarity NPC167706
0.8315 Intermediate Similarity NPC307776
0.8315 Intermediate Similarity NPC27531
0.8313 Intermediate Similarity NPC82986
0.8313 Intermediate Similarity NPC249423
0.8313 Intermediate Similarity NPC474752
0.8313 Intermediate Similarity NPC7505
0.8313 Intermediate Similarity NPC474759
0.8313 Intermediate Similarity NPC476646
0.8313 Intermediate Similarity NPC474731
0.8313 Intermediate Similarity NPC474531
0.8313 Intermediate Similarity NPC474683
0.8312 Intermediate Similarity NPC210323
0.8293 Intermediate Similarity NPC472463
0.8293 Intermediate Similarity NPC328714
0.8276 Intermediate Similarity NPC475605
0.8276 Intermediate Similarity NPC471952
0.8276 Intermediate Similarity NPC474668
0.8272 Intermediate Similarity NPC138502
0.8272 Intermediate Similarity NPC307336
0.8272 Intermediate Similarity NPC260301
0.8256 Intermediate Similarity NPC201273
0.8256 Intermediate Similarity NPC152808
0.8256 Intermediate Similarity NPC293287
0.8256 Intermediate Similarity NPC125399
0.825 Intermediate Similarity NPC22105
0.825 Intermediate Similarity NPC322353
0.825 Intermediate Similarity NPC121744
0.825 Intermediate Similarity NPC118508
0.825 Intermediate Similarity NPC32832
0.825 Intermediate Similarity NPC136188
0.825 Intermediate Similarity NPC28657

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC82623 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
0.8875 High Similarity NPD7525 Registered
0.825 Intermediate Similarity NPD6942 Approved
0.825 Intermediate Similarity NPD7339 Approved
0.7955 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7901 Intermediate Similarity NPD6926 Approved
0.7901 Intermediate Similarity NPD6924 Approved
0.7882 Intermediate Similarity NPD6902 Approved
0.7857 Intermediate Similarity NPD7645 Phase 2
0.7765 Intermediate Similarity NPD6930 Phase 2
0.7765 Intermediate Similarity NPD6931 Approved
0.7765 Intermediate Similarity NPD7514 Phase 3
0.7738 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD6933 Approved
0.7683 Intermediate Similarity NPD4784 Approved
0.7683 Intermediate Similarity NPD4785 Approved
0.7654 Intermediate Similarity NPD7150 Approved
0.7654 Intermediate Similarity NPD7152 Approved
0.7654 Intermediate Similarity NPD4243 Approved
0.7654 Intermediate Similarity NPD7151 Approved
0.7647 Intermediate Similarity NPD6929 Approved
0.7614 Intermediate Similarity NPD4786 Approved
0.7609 Intermediate Similarity NPD6079 Approved
0.7582 Intermediate Similarity NPD5328 Approved
0.7558 Intermediate Similarity NPD7332 Phase 2
0.7531 Intermediate Similarity NPD7143 Approved
0.7531 Intermediate Similarity NPD7144 Approved
0.7529 Intermediate Similarity NPD7145 Approved
0.75 Intermediate Similarity NPD6695 Phase 3
0.7444 Intermediate Similarity NPD3618 Phase 1
0.7423 Intermediate Similarity NPD7639 Approved
0.7423 Intermediate Similarity NPD7640 Approved
0.7416 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD5776 Phase 2
0.7412 Intermediate Similarity NPD6932 Approved
0.7412 Intermediate Similarity NPD6925 Approved
0.7407 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD6923 Approved
0.7407 Intermediate Similarity NPD6922 Approved
0.7386 Intermediate Similarity NPD3667 Approved
0.7381 Intermediate Similarity NPD8264 Approved
0.7356 Intermediate Similarity NPD7509 Discontinued
0.7356 Intermediate Similarity NPD4748 Discontinued
0.734 Intermediate Similarity NPD4202 Approved
0.7333 Intermediate Similarity NPD6893 Approved
0.7333 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD7638 Approved
0.7273 Intermediate Similarity NPD5211 Phase 2
0.7241 Intermediate Similarity NPD4195 Approved
0.7176 Intermediate Similarity NPD4190 Phase 3
0.7176 Intermediate Similarity NPD5275 Approved
0.7174 Intermediate Similarity NPD7524 Approved
0.7174 Intermediate Similarity NPD7750 Discontinued
0.7129 Intermediate Similarity NPD5141 Approved
0.7113 Intermediate Similarity NPD5222 Approved
0.7113 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD5221 Approved
0.7108 Intermediate Similarity NPD4787 Phase 1
0.7079 Intermediate Similarity NPD6898 Phase 1
0.7071 Intermediate Similarity NPD4696 Approved
0.7071 Intermediate Similarity NPD5286 Approved
0.7071 Intermediate Similarity NPD5285 Approved
0.7045 Intermediate Similarity NPD6683 Phase 2
0.7041 Intermediate Similarity NPD5173 Approved
0.7041 Intermediate Similarity NPD4755 Approved
0.7033 Intermediate Similarity NPD3666 Approved
0.7033 Intermediate Similarity NPD3133 Approved
0.7033 Intermediate Similarity NPD3665 Phase 1
0.7 Intermediate Similarity NPD5223 Approved
0.6939 Remote Similarity NPD4697 Phase 3
0.6931 Remote Similarity NPD5226 Approved
0.6931 Remote Similarity NPD4633 Approved
0.6931 Remote Similarity NPD5224 Approved
0.6931 Remote Similarity NPD5225 Approved
0.6923 Remote Similarity NPD4788 Approved
0.69 Remote Similarity NPD4700 Approved
0.6881 Remote Similarity NPD7115 Discovery
0.6875 Remote Similarity NPD7087 Discontinued
0.6875 Remote Similarity NPD7515 Phase 2
0.6863 Remote Similarity NPD5175 Approved
0.6863 Remote Similarity NPD5174 Approved
0.6842 Remote Similarity NPD4753 Phase 2
0.6842 Remote Similarity NPD6051 Approved
0.6824 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6824 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6813 Remote Similarity NPD4223 Phase 3
0.6813 Remote Similarity NPD4221 Approved
0.6804 Remote Similarity NPD6399 Phase 3
0.68 Remote Similarity NPD5290 Discontinued
0.6774 Remote Similarity NPD5329 Approved
0.6765 Remote Similarity NPD7632 Discontinued
0.6762 Remote Similarity NPD6881 Approved
0.6762 Remote Similarity NPD6899 Approved
0.675 Remote Similarity NPD368 Approved
0.6742 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6731 Remote Similarity NPD7128 Approved
0.6731 Remote Similarity NPD6675 Approved
0.6731 Remote Similarity NPD6402 Approved
0.6731 Remote Similarity NPD5739 Approved
0.6705 Remote Similarity NPD6117 Approved
0.6702 Remote Similarity NPD4623 Approved
0.6702 Remote Similarity NPD5279 Phase 3
0.6702 Remote Similarity NPD4519 Discontinued
0.6701 Remote Similarity NPD7637 Suspended
0.6701 Remote Similarity NPD8035 Phase 2
0.6701 Remote Similarity NPD8034 Phase 2
0.6699 Remote Similarity NPD4754 Approved
0.6667 Remote Similarity NPD4629 Approved
0.6667 Remote Similarity NPD4159 Approved
0.6667 Remote Similarity NPD4197 Approved
0.6667 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3668 Phase 3
0.6667 Remote Similarity NPD5697 Approved
0.6667 Remote Similarity NPD5210 Approved
0.6636 Remote Similarity NPD6883 Approved
0.6636 Remote Similarity NPD7102 Approved
0.6636 Remote Similarity NPD7290 Approved
0.6629 Remote Similarity NPD6116 Phase 1
0.6604 Remote Similarity NPD4729 Approved
0.6604 Remote Similarity NPD7320 Approved
0.6604 Remote Similarity NPD6011 Approved
0.6604 Remote Similarity NPD4730 Approved
0.6588 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6588 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6574 Remote Similarity NPD6869 Approved
0.6574 Remote Similarity NPD6847 Approved
0.6574 Remote Similarity NPD6649 Approved
0.6574 Remote Similarity NPD8130 Phase 1
0.6574 Remote Similarity NPD6650 Approved
0.6574 Remote Similarity NPD6617 Approved
0.6571 Remote Similarity NPD4767 Approved
0.6571 Remote Similarity NPD4768 Approved
0.6566 Remote Similarity NPD7748 Approved
0.6556 Remote Similarity NPD6115 Approved
0.6556 Remote Similarity NPD6114 Approved
0.6556 Remote Similarity NPD6697 Approved
0.6556 Remote Similarity NPD6118 Approved
0.6542 Remote Similarity NPD6373 Approved
0.6542 Remote Similarity NPD6013 Approved
0.6542 Remote Similarity NPD6372 Approved
0.6542 Remote Similarity NPD6012 Approved
0.6542 Remote Similarity NPD6014 Approved
0.6535 Remote Similarity NPD6084 Phase 2
0.6535 Remote Similarity NPD6083 Phase 2
0.6526 Remote Similarity NPD4138 Approved
0.6526 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6526 Remote Similarity NPD4690 Approved
0.6526 Remote Similarity NPD4693 Phase 3
0.6526 Remote Similarity NPD4688 Approved
0.6526 Remote Similarity NPD5205 Approved
0.6526 Remote Similarity NPD5690 Phase 2
0.6526 Remote Similarity NPD4689 Approved
0.6518 Remote Similarity NPD7327 Approved
0.6518 Remote Similarity NPD7328 Approved
0.6514 Remote Similarity NPD6882 Approved
0.6514 Remote Similarity NPD8297 Approved
0.6509 Remote Similarity NPD5701 Approved
0.65 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6481 Remote Similarity NPD5169 Approved
0.6481 Remote Similarity NPD5250 Approved
0.6481 Remote Similarity NPD5248 Approved
0.6481 Remote Similarity NPD5135 Approved
0.6481 Remote Similarity NPD5251 Approved
0.6481 Remote Similarity NPD5249 Phase 3
0.6481 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6481 Remote Similarity NPD4634 Approved
0.6481 Remote Similarity NPD5247 Approved
0.6471 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5360 Phase 3
0.6471 Remote Similarity NPD4225 Approved
0.646 Remote Similarity NPD7516 Approved
0.6449 Remote Similarity NPD5128 Approved
0.6449 Remote Similarity NPD5168 Approved
0.6429 Remote Similarity NPD7136 Phase 2
0.6422 Remote Similarity NPD5215 Approved
0.6422 Remote Similarity NPD5127 Approved
0.6422 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6422 Remote Similarity NPD5217 Approved
0.6422 Remote Similarity NPD5216 Approved
0.6421 Remote Similarity NPD1696 Phase 3
0.6413 Remote Similarity NPD4821 Approved
0.6413 Remote Similarity NPD4819 Approved
0.6413 Remote Similarity NPD4820 Approved
0.6413 Remote Similarity NPD4822 Approved
0.6404 Remote Similarity NPD3703 Phase 2
0.6404 Remote Similarity NPD8294 Approved
0.6404 Remote Similarity NPD8377 Approved
0.64 Remote Similarity NPD5771 Approved
0.6392 Remote Similarity NPD4723 Approved
0.6392 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6392 Remote Similarity NPD4722 Approved
0.6373 Remote Similarity NPD7902 Approved
0.6354 Remote Similarity NPD7334 Approved
0.6354 Remote Similarity NPD6409 Approved
0.6354 Remote Similarity NPD5330 Approved
0.6354 Remote Similarity NPD7146 Approved
0.6354 Remote Similarity NPD6684 Approved
0.6354 Remote Similarity NPD7521 Approved
0.6354 Remote Similarity NPD5280 Approved
0.6354 Remote Similarity NPD4694 Approved

Structure

External Identifiers

PubChem CID   5470009
ChEMBL   CHEMBL1641872
ZINC  

Physicochemical Properties

Molecular Weight:  442.38
ALogP:  1.8942
MLogP:  4.54
XLogP:  10.256
# Rotatable Bonds:  13
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  32

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Structure MOL file  
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Biological Activities  
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