Natural Product: NPC45536

Natural Product ID:  NPC45536
Common Name:   Perillaketone
IUPAC Name:   1-(furan-3-yl)-4-methylpentan-1-one
Synonyms:   Perillaketone
Molecular Formula:   C10H14O2
Standard InCHIKey:  LVHLZMUFIYAEQB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3
Canonical SMILES:  CC(CCC(=O)c1cocc1)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
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota HerDing*
NPO8650.1 Perilla frutescens var. arguta Varieties Lamiaceae Eukaryota HerDing*
NPO8650.3 Perilla frutescens (l.) britt. var. crispa (thunb.) hand.-mazz. Varieties Lamiaceae Eukaryota TCM_Taiwan*
NPO13766 Ceanothus velutinus Species Rhamnaceae Eukaryota UNPD*
NPO11492 Kopsia grandifolia Species Apocynaceae Eukaryota UNPD*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TCMSP*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TM-MC*
NPO8650.1 Perilla frutescens var. arguta Varieties Lamiaceae Eukaryota TCMID*
NPO4671 Persea mexicana Species Lauraceae Eukaryota UNPD*
NPO6473.1 Perilla frutescens var. acuta Varieties Lamiaceae Eukaryota TCMID*
NPO5191 Penicillium cinerascens Species Aspergillaceae Eukaryota UNPD*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCMID*
NPO8892 Sordaria araneosa Species Sordariaceae Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TCMID*
NPO7016 Gardenia tubifera Species Rubiaceae Eukaryota UNPD*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TCMID*
NPO8068 Blumea mollis Species Asteraceae Eukaryota UNPD*
NPO13467 Anarsia lineatella Species Gelechiidae Eukaryota UNPD*
NPO3465 Aconitum leucostomum Species Ranunculaceae Eukaryota UNPD*
NPO1795 Fragaria vesca Species Rosaceae Eukaryota UNPD*
NPO205 Lasianthus fordii Species Rubiaceae Eukaryota UNPD*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota UNPD*
NPO13968 Garcinia scortechinii Species Clusiaceae Eukaryota UNPD*
NPO14358 Rhodobacter sphaeroides Species Rhodobacteraceae Bacteria UNPD*
NPO4004 Aquilegia ecalcarata Species Ranunculaceae Eukaryota UNPD*
NPO12509 Dipterocarpus dyeri Species Dipterocarpaceae Eukaryota UNPD*
NPO746 Panax innovans Species Araliaceae Eukaryota UNPD*
NPO13014 Ipomoea cairica Species Convolvulaceae Eukaryota UNPD*
NPO16703 Isodon lophanthoides Species Lamiaceae Eukaryota UNPD*
NPO12357 Lycopus europaeus Species Lamiaceae Eukaryota UNPD*
NPO14057 Apollonias barbujana Species Lauraceae Eukaryota UNPD*
NPO10550 Artemisia hanseniana Species Asteraceae Eukaryota UNPD*
NPO14162 Chlorophytum borivilianum Species Asparagaceae Eukaryota UNPD*
NPO11998 Ledebouria socialis Species Hyacinthaceae Eukaryota UNPD*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota HerDing*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TCM_Taiwan*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota HerDing*
NPO6473.1 Perilla frutescens var. acuta Varieties Lamiaceae Eukaryota HerDing*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1534 Individual Protein Transient receptor potential cation channel subfamily A member 1 Rattus norvegicus EC50 = 40738.03 nM 19162486
NPT1534 Individual Protein Transient receptor potential cation channel subfamily A member 1 Rattus norvegicus EC50 = 19700 nM 19162486
NPT1841 Individual Protein Transient receptor potential cation channel subfamily M member 8 Rattus norvegicus Inhibition = 39.3 % 19162486
NPT346 Individual Protein Transient receptor potential cation channel subfamily A member 1 Homo sapiens EC50 = 19700 nM 20356305
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 100000 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 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 100000 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 100000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 100000 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 100000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 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 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 100000 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 100000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 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 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 100000 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 100000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 100000 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 100000 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 100000 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 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 100000 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 NPC45536 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
0.9386 High Similarity NPC79557
0.9167 High Similarity NPC140688
0.886 High Similarity NPC28054
0.864 High Similarity NPC470740
0.8632 High Similarity NPC243704
0.8571 High Similarity NPC1848
0.8559 High Similarity NPC473969
0.8547 High Similarity NPC144745
0.8547 High Similarity NPC208906
0.8534 High Similarity NPC150895
0.85 High Similarity NPC263870
0.8455 Intermediate Similarity NPC184391
0.8438 Intermediate Similarity NPC146872
0.839 Intermediate Similarity NPC131801
0.8376 Intermediate Similarity NPC205523
0.8372 Intermediate Similarity NPC42400
0.8361 Intermediate Similarity NPC118853
0.8361 Intermediate Similarity NPC188377
0.8361 Intermediate Similarity NPC65735
0.8348 Intermediate Similarity NPC105249
0.8333 Intermediate Similarity NPC136340
0.8308 Intermediate Similarity NPC236532
0.8306 Intermediate Similarity NPC95567
0.8306 Intermediate Similarity NPC319140
0.8254 Intermediate Similarity NPC21460
0.8246 Intermediate Similarity NPC471521
0.8246 Intermediate Similarity NPC473356
0.8235 Intermediate Similarity NPC312525
0.8235 Intermediate Similarity NPC217180
0.823 Intermediate Similarity NPC42471
0.8203 Intermediate Similarity NPC474425
0.8203 Intermediate Similarity NPC474407
0.8203 Intermediate Similarity NPC474426
0.8197 Intermediate Similarity NPC317217
0.8197 Intermediate Similarity NPC477967
0.8174 Intermediate Similarity NPC177331
0.8145 Intermediate Similarity NPC71274
0.8145 Intermediate Similarity NPC471074
0.8145 Intermediate Similarity NPC473885
0.8145 Intermediate Similarity NPC474829
0.8145 Intermediate Similarity NPC75557
0.814 Intermediate Similarity NPC106247
0.813 Intermediate Similarity NPC16922
0.812 Intermediate Similarity NPC22678
0.811 Intermediate Similarity NPC45947
0.8099 Intermediate Similarity NPC67345
0.8099 Intermediate Similarity NPC244862
0.8099 Intermediate Similarity NPC137710
0.808 Intermediate Similarity NPC81912
0.808 Intermediate Similarity NPC329694
0.808 Intermediate Similarity NPC474260
0.808 Intermediate Similarity NPC329922
0.8077 Intermediate Similarity NPC159786
0.8065 Intermediate Similarity NPC477038
0.8065 Intermediate Similarity NPC243269
0.8065 Intermediate Similarity NPC477965
0.806 Intermediate Similarity NPC473152
0.806 Intermediate Similarity NPC52412
0.8049 Intermediate Similarity NPC471549
0.8049 Intermediate Similarity NPC473379
0.8017 Intermediate Similarity NPC206007
0.8016 Intermediate Similarity NPC137570
0.8016 Intermediate Similarity NPC474830
0.8016 Intermediate Similarity NPC141059
0.8016 Intermediate Similarity NPC476016
0.8 Intermediate Similarity NPC59035
0.8 Intermediate Similarity NPC79202
0.8 Intermediate Similarity NPC179354
0.7984 Intermediate Similarity NPC476351
0.7984 Intermediate Similarity NPC471817
0.7967 Intermediate Similarity NPC115859
0.7966 Intermediate Similarity NPC26157
0.7966 Intermediate Similarity NPC1811
0.7955 Intermediate Similarity NPC473268
0.7953 Intermediate Similarity NPC474438
0.7953 Intermediate Similarity NPC474279
0.7939 Intermediate Similarity NPC158525
0.7939 Intermediate Similarity NPC92941
0.7937 Intermediate Similarity NPC23086
0.7937 Intermediate Similarity NPC216810
0.7937 Intermediate Similarity NPC138139
0.7937 Intermediate Similarity NPC46536
0.7937 Intermediate Similarity NPC74612
0.7937 Intermediate Similarity NPC83301
0.7934 Intermediate Similarity NPC227660
0.7923 Intermediate Similarity NPC471006
0.7907 Intermediate Similarity NPC298190
0.7903 Intermediate Similarity NPC174915
0.7903 Intermediate Similarity NPC270807
0.7903 Intermediate Similarity NPC283284
0.7903 Intermediate Similarity NPC289911
0.7899 Intermediate Similarity NPC53953
0.7895 Intermediate Similarity NPC472376
0.7895 Intermediate Similarity NPC476943
0.7895 Intermediate Similarity NPC177262
0.7895 Intermediate Similarity NPC220094
0.7891 Intermediate Similarity NPC59502
0.7879 Intermediate Similarity NPC46896
0.7874 Intermediate Similarity NPC83178
0.7869 Intermediate Similarity NPC187547
0.7869 Intermediate Similarity NPC21831
0.7863 Intermediate Similarity NPC200718
0.7857 Intermediate Similarity NPC471559
0.7846 Intermediate Similarity NPC473982
0.784 Intermediate Similarity NPC475818
0.7836 Intermediate Similarity NPC474615
0.7833 Intermediate Similarity NPC292036
0.7826 Intermediate Similarity NPC276676
0.7823 Intermediate Similarity NPC474136
0.7823 Intermediate Similarity NPC97566
0.782 Intermediate Similarity NPC310830
0.782 Intermediate Similarity NPC470742
0.7812 Intermediate Similarity NPC477966
0.7812 Intermediate Similarity NPC477123
0.7812 Intermediate Similarity NPC476917
0.7812 Intermediate Similarity NPC112706
0.7812 Intermediate Similarity NPC207294
0.7812 Intermediate Similarity NPC327527
0.7812 Intermediate Similarity NPC477039
0.7812 Intermediate Similarity NPC477040
0.7788 Intermediate Similarity NPC156768
0.777 Intermediate Similarity NPC10088
0.7769 Intermediate Similarity NPC477645
0.7769 Intermediate Similarity NPC17681
0.7769 Intermediate Similarity NPC61788
0.7769 Intermediate Similarity NPC475092
0.776 Intermediate Similarity NPC314329
0.7754 Intermediate Similarity NPC195920
0.7742 Intermediate Similarity NPC474817
0.7737 Intermediate Similarity NPC267632
0.7734 Intermediate Similarity NPC473355
0.7734 Intermediate Similarity NPC471573
0.7734 Intermediate Similarity NPC471554
0.7734 Intermediate Similarity NPC471501
0.7724 Intermediate Similarity NPC87466
0.771 Intermediate Similarity NPC97740
0.771 Intermediate Similarity NPC45358
0.7705 Intermediate Similarity NPC476014
0.7705 Intermediate Similarity NPC476031
0.7698 Intermediate Similarity NPC475864
0.7698 Intermediate Similarity NPC233763
0.7692 Intermediate Similarity NPC476925
0.7687 Intermediate Similarity NPC186626
0.7686 Intermediate Similarity NPC252004
0.7681 Intermediate Similarity NPC117674
0.7681 Intermediate Similarity NPC142113
0.7674 Intermediate Similarity NPC279877
0.7661 Intermediate Similarity NPC35744
0.7661 Intermediate Similarity NPC4898
0.7656 Intermediate Similarity NPC224657
0.7656 Intermediate Similarity NPC470858
0.7652 Intermediate Similarity NPC218838
0.7643 Intermediate Similarity NPC224418
0.7642 Intermediate Similarity NPC212918
0.7638 Intermediate Similarity NPC11799
0.7638 Intermediate Similarity NPC141252
0.7634 Intermediate Similarity NPC89133
0.7626 Intermediate Similarity NPC27798
0.7626 Intermediate Similarity NPC93241
0.7623 Intermediate Similarity NPC11821
0.7615 Intermediate Similarity NPC50583
0.7609 Intermediate Similarity NPC254198
0.7603 Intermediate Similarity NPC279916
0.76 Intermediate Similarity NPC246214
0.7597 Intermediate Similarity NPC290955
0.7597 Intermediate Similarity NPC246392
0.7593 Intermediate Similarity NPC160294
0.7591 Intermediate Similarity NPC205765
0.7589 Intermediate Similarity NPC474255
0.7589 Intermediate Similarity NPC471618
0.7589 Intermediate Similarity NPC474220
0.7583 Intermediate Similarity NPC54626
0.7581 Intermediate Similarity NPC171023
0.7581 Intermediate Similarity NPC32298
0.7576 Intermediate Similarity NPC471544
0.7576 Intermediate Similarity NPC473344
0.7576 Intermediate Similarity NPC471545
0.7574 Intermediate Similarity NPC233707
0.7574 Intermediate Similarity NPC265181
0.7561 Intermediate Similarity NPC474987
0.7561 Intermediate Similarity NPC76844
0.7561 Intermediate Similarity NPC316062
0.7556 Intermediate Similarity NPC215109
0.7556 Intermediate Similarity NPC307401
0.7556 Intermediate Similarity NPC170604
0.7538 Intermediate Similarity NPC26532
0.7538 Intermediate Similarity NPC329707
0.7537 Intermediate Similarity NPC209858
0.7537 Intermediate Similarity NPC476947
0.7535 Intermediate Similarity NPC474270
0.7535 Intermediate Similarity NPC475904
0.752 Intermediate Similarity NPC54243
0.752 Intermediate Similarity NPC201284
0.7518 Intermediate Similarity NPC281398
0.7518 Intermediate Similarity NPC90296
0.75 Intermediate Similarity NPC178382
0.75 Intermediate Similarity NPC37488
0.75 Intermediate Similarity NPC217423
0.7482 Intermediate Similarity NPC223415
0.7482 Intermediate Similarity NPC476946

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC45536 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
0.776 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD1241 Discontinued
0.7574 Intermediate Similarity NPD2344 Approved
0.7574 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD1471 Phase 3
0.7357 Intermediate Similarity NPD2309 Approved
0.7308 Intermediate Similarity NPD1876 Approved
0.7222 Intermediate Similarity NPD920 Approved
0.7218 Intermediate Similarity NPD6832 Phase 2
0.7203 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD1019 Discontinued
0.7183 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD9717 Approved
0.7095 Intermediate Similarity NPD6280 Approved
0.7095 Intermediate Similarity NPD6279 Approved
0.7068 Intermediate Similarity NPD2798 Approved
0.705 Intermediate Similarity NPD2799 Discontinued
0.7023 Intermediate Similarity NPD3972 Approved
0.7 Intermediate Similarity NPD2796 Approved
0.6985 Remote Similarity NPD2313 Discontinued
0.6972 Remote Similarity NPD1243 Approved
0.6933 Remote Similarity NPD5760 Phase 2
0.6933 Remote Similarity NPD5761 Phase 2
0.6866 Remote Similarity NPD1203 Approved
0.6835 Remote Similarity NPD1899 Clinical (unspecified phase)
0.68 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6783 Remote Similarity NPD1549 Phase 2
0.6776 Remote Similarity NPD2296 Approved
0.6774 Remote Similarity NPD1247 Approved
0.6763 Remote Similarity NPD3142 Approved
0.6763 Remote Similarity NPD3140 Approved
0.6763 Remote Similarity NPD1240 Approved
0.6761 Remote Similarity NPD1551 Phase 2
0.6753 Remote Similarity NPD919 Approved
0.6744 Remote Similarity NPD9493 Approved
0.6741 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6731 Remote Similarity NPD6808 Phase 2
0.6731 Remote Similarity NPD5668 Clinical (unspecified phase)
0.6714 Remote Similarity NPD1933 Approved
0.6714 Remote Similarity NPD447 Suspended
0.6713 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6713 Remote Similarity NPD2346 Discontinued
0.6713 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6692 Remote Similarity NPD9092 Discovery
0.6667 Remote Similarity NPD1607 Approved
0.6667 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6667 Remote Similarity NPD17 Approved
0.6645 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6642 Remote Similarity NPD9494 Approved
0.6622 Remote Similarity NPD4662 Approved
0.6622 Remote Similarity NPD4661 Approved
0.6619 Remote Similarity NPD411 Approved
0.6618 Remote Similarity NPD3267 Approved
0.6618 Remote Similarity NPD3266 Approved
0.6614 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6613 Remote Similarity NPD3134 Approved
0.6582 Remote Similarity NPD3926 Phase 2
0.6575 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6573 Remote Similarity NPD1510 Phase 2
0.6569 Remote Similarity NPD5647 Approved
0.6562 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6554 Remote Similarity NPD6799 Approved
0.6533 Remote Similarity NPD3869 Phase 3
0.6533 Remote Similarity NPD3873 Phase 3
0.6525 Remote Similarity NPD4307 Phase 2
0.6519 Remote Similarity NPD1608 Approved
0.6515 Remote Similarity NPD9545 Approved
0.6508 Remote Similarity NPD2182 Approved
0.6507 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6497 Remote Similarity NPD5494 Approved
0.6496 Remote Similarity NPD2797 Approved
0.6452 Remote Similarity NPD164 Approved
0.6447 Remote Similarity NPD3226 Approved
0.6429 Remote Similarity NPD1358 Approved
0.6419 Remote Similarity NPD3887 Approved
0.6418 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6414 Remote Similarity NPD2935 Discontinued
0.641 Remote Similarity NPD3882 Suspended
0.6405 Remote Similarity NPD6599 Discontinued
0.64 Remote Similarity NPD5401 Approved
0.64 Remote Similarity NPD4378 Clinical (unspecified phase)
0.64 Remote Similarity NPD9697 Approved
0.6395 Remote Similarity NPD2800 Approved
0.6393 Remote Similarity NPD1238 Approved
0.6391 Remote Similarity NPD1894 Discontinued
0.6383 Remote Similarity NPD3268 Approved
0.6378 Remote Similarity NPD2684 Approved
0.6371 Remote Similarity NPD9261 Approved
0.637 Remote Similarity NPD2353 Approved
0.637 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6369 Remote Similarity NPD3749 Approved
0.6364 Remote Similarity NPD405 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4618 Approved
0.6364 Remote Similarity NPD4622 Approved
0.6364 Remote Similarity NPD7411 Suspended
0.6358 Remote Similarity NPD6273 Approved
0.6351 Remote Similarity NPD4628 Phase 3
0.6345 Remote Similarity NPD3748 Approved
0.6345 Remote Similarity NPD4308 Phase 3
0.6343 Remote Similarity NPD1651 Approved
0.6343 Remote Similarity NPD5585 Approved
0.6324 Remote Similarity NPD1281 Approved
0.6323 Remote Similarity NPD6844 Discontinued
0.6316 Remote Similarity NPD5403 Approved
0.631 Remote Similarity NPD8434 Phase 2
0.6309 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6303 Remote Similarity NPD6559 Discontinued
0.6291 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6284 Remote Similarity NPD2654 Approved
0.6282 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6282 Remote Similarity NPD7819 Suspended
0.6276 Remote Similarity NPD5688 Approved
0.6276 Remote Similarity NPD5689 Approved
0.6258 Remote Similarity NPD5890 Approved
0.6258 Remote Similarity NPD5889 Approved
0.625 Remote Similarity NPD6355 Discontinued
0.6242 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6224 Remote Similarity NPD8032 Phase 2
0.6218 Remote Similarity NPD1934 Approved
0.6218 Remote Similarity NPD6801 Discontinued
0.6216 Remote Similarity NPD970 Clinical (unspecified phase)
0.6212 Remote Similarity NPD690 Clinical (unspecified phase)
0.6209 Remote Similarity NPD5586 Clinical (unspecified phase)
0.62 Remote Similarity NPD2354 Approved
0.6194 Remote Similarity NPD5536 Phase 2
0.6187 Remote Similarity NPD1283 Approved
0.6183 Remote Similarity NPD7843 Approved
0.6183 Remote Similarity NPD5535 Approved
0.6178 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6176 Remote Similarity NPD1778 Approved
0.6172 Remote Similarity NPD290 Approved
0.6172 Remote Similarity NPD9264 Approved
0.6172 Remote Similarity NPD9263 Approved
0.6172 Remote Similarity NPD9267 Approved
0.617 Remote Similarity NPD454 Approved
0.6164 Remote Similarity NPD7075 Discontinued
0.6159 Remote Similarity NPD1481 Phase 2
0.6154 Remote Similarity NPD3764 Approved
0.6154 Remote Similarity NPD6798 Discontinued
0.6143 Remote Similarity NPD1470 Approved
0.6139 Remote Similarity NPD5402 Approved
0.6133 Remote Similarity NPD3750 Approved
0.6131 Remote Similarity NPD3496 Discontinued
0.6129 Remote Similarity NPD2651 Approved
0.6129 Remote Similarity NPD2649 Approved
0.6124 Remote Similarity NPD9266 Approved
0.6124 Remote Similarity NPD74 Approved
0.6122 Remote Similarity NPD7033 Discontinued
0.6118 Remote Similarity NPD1511 Approved
0.6115 Remote Similarity NPD7317 Phase 3
0.6115 Remote Similarity NPD7577 Discontinued
0.6115 Remote Similarity NPD4359 Approved
0.6103 Remote Similarity NPD5691 Approved
0.6101 Remote Similarity NPD7768 Phase 2
0.6094 Remote Similarity NPD968 Approved
0.609 Remote Similarity NPD4380 Phase 2
0.609 Remote Similarity NPD6585 Discontinued
0.6087 Remote Similarity NPD1535 Discovery
0.6084 Remote Similarity NPD2598 Clinical (unspecified phase)
0.6081 Remote Similarity NPD5712 Approved
0.6078 Remote Similarity NPD2532 Approved
0.6078 Remote Similarity NPD2534 Approved
0.6078 Remote Similarity NPD2533 Approved
0.6077 Remote Similarity NPD2067 Discontinued
0.6076 Remote Similarity NPD2801 Approved
0.6069 Remote Similarity NPD2979 Phase 3
0.6065 Remote Similarity NPD957 Approved
0.6063 Remote Similarity NPD1237 Approved
0.6062 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6061 Remote Similarity NPD3818 Discontinued
0.6061 Remote Similarity NPD821 Approved
0.6054 Remote Similarity NPD743 Approved
0.6053 Remote Similarity NPD7440 Discontinued
0.6045 Remote Similarity NPD7157 Approved
0.6042 Remote Similarity NPD1296 Phase 2
0.6042 Remote Similarity NPD6859 Clinical (unspecified phase)
0.604 Remote Similarity NPD6003 Clinical (unspecified phase)
0.604 Remote Similarity NPD6004 Phase 3
0.604 Remote Similarity NPD6005 Phase 3
0.604 Remote Similarity NPD6006 Clinical (unspecified phase)
0.604 Remote Similarity NPD6002 Phase 3
0.6039 Remote Similarity NPD1512 Approved
0.6038 Remote Similarity NPD7318 Phase 3
0.6038 Remote Similarity NPD3817 Phase 2
0.6037 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6028 Remote Similarity NPD6362 Approved
0.6026 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6026 Remote Similarity NPD7003 Approved
0.6024 Remote Similarity NPD3050 Clinical (unspecified phase)
0.6012 Remote Similarity NPD6764 Approved
0.6012 Remote Similarity NPD6765 Approved
0.6 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6 Remote Similarity NPD4062 Phase 3
0.6 Remote Similarity NPD4947 Clinical (unspecified phase)
0.6 Remote Similarity NPD2424 Discontinued
0.6 Remote Similarity NPD6233 Phase 2
0.5988 Remote Similarity NPD1729 Discontinued
0.5986 Remote Similarity NPD6651 Approved
0.5975 Remote Similarity NPD1006 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   68381
ChEMBL   CHEMBL469753
ZINC  

Physicochemical Properties

Molecular Weight:  166.10
ALogP:  0.4454
MLogP:  2.34
XLogP:  2.419
# Rotatable Bonds:  6
Polar Surface Area:  30.21
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  12

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Biological Activities  
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