Natural Product: NPC189650

Natural Product ID:  NPC189650
Common Name:   5,6,8-Trimethoxy-2-Propylbenzo[G]Chromen-4-One
IUPAC Name:   5,6,8-trimethoxy-2-propylbenzo[g]chromen-4-one
Synonyms:  
Molecular Formula:   C19H20O5
Standard InCHIKey:  UGLFZOMBQKIDLY-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C19H20O5/c1-5-6-12-9-14(20)18-16(24-12)8-11-7-13(21-2)10-15(22-3)17(11)19(18)23-4/h7-10H,5-6H2,1-4H3
Canonical SMILES:  CCCc1cc(=O)c2c(o1)cc1c(c2OC)c(OC)cc(c1)OC
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
NPO9478 Comantheria rotula NA NA NA PMID[17844994]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT397 Cell Line NCI-H460 Homo sapiens TGI > 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 = 42657.95 nM 25946116
NPT116 Cell Line HL-60 Homo sapiens TGI > 100000 nM 26896705
NPT404 Cell Line CCRF-CEM Homo sapiens TGI = 100000 nM 26896705
NPT404 Cell Line CCRF-CEM Homo sapiens LC50 > 100000 nM 26896705
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 = 58884.37 nM 26896705
NPT394 Cell Line EKVX Homo sapiens LC50 > 100000 nM 22548480
NPT394 Cell Line EKVX Homo sapiens GI50 = 100000 nM 12398537
NPT81 Cell Line A549 Homo sapiens LC50 > 100000 nM 15787444
NPT405 Cell Line NCI-H226 Homo sapiens GI50 < 100000 nM 15787444
NPT379 Cell Line HOP-62 Homo sapiens LC50 > 100000 nM 15787444
NPT379 Cell Line HOP-62 Homo sapiens TGI > 100000 nM 15787444
NPT379 Cell Line HOP-62 Homo sapiens GI50 = 57543.99 nM 15787444
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 25703.96 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 = 81283.05 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens TGI > 100000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 = 74131.02 nM 22712432
NPT83 Cell Line MCF7 Homo sapiens LC50 > 100000 nM 23142320
NPT2 Others Unspecified IC50 = 2000 nM 25576739
NPT116 Cell Line HL-60 Homo sapiens LC50 > 100000 nM 10.1039/C4MD00124A
NPT111 Cell Line K562 Homo sapiens GI50 = 39810.72 nM 10.1039/C4MD00124A
NPT405 Cell Line NCI-H226 Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens TGI > 100000 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens TGI > 100000 nM 11602674
NPT380 Cell Line U-251 Homo sapiens GI50 < 100000 nM DrugMatrix in vitro pharmacology data
NPT380 Cell Line U-251 Homo sapiens TGI > 100000 nM DrugMatrix in vitro pharmacology data
NPT392 Cell Line SNB-75 Homo sapiens TGI > 100000 nM DrugMatrix in vitro pharmacology data
NPT392 Cell Line SNB-75 Homo sapiens LC50 > 100000 nM DrugMatrix in vitro pharmacology data
NPT383 Cell Line SNB-19 Homo sapiens LC50 > 100000 nM DrugMatrix in vitro pharmacology data
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 74131.02 nM DrugMatrix in vitro pharmacology data
NPT383 Cell Line SNB-19 Homo sapiens GI50 < 100000 nM DrugMatrix in vitro pharmacology data
NPT383 Cell Line SNB-19 Homo sapiens TGI > 100000 nM DrugMatrix in vitro pharmacology data
NPT374 Cell Line SF-539 Homo sapiens TGI > 100000 nM DrugMatrix in vitro pharmacology data
NPT374 Cell Line SF-539 Homo sapiens LC50 > 100000 nM DrugMatrix in vitro pharmacology data
NPT306 Cell Line PC-3 Homo sapiens TGI > 100000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 = 51286.14 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 = 42657.95 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens TGI > 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens TGI > 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 = 37153.52 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 = 53703.18 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 < 100000 nM 19921834
NPT147 Cell Line SK-MEL-2 Homo sapiens TGI > 100000 nM 19921834
NPT147 Cell Line SK-MEL-2 Homo sapiens LC50 > 100000 nM 19921834
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 < 100000 nM 19921834
NPT170 Cell Line SK-MEL-28 Homo sapiens TGI > 100000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 = 45708.82 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens TGI > 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 < 100000 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 = 16595.87 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens LC50 > 100000 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens TGI > 100000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 69183.1 nM 18212109
NPT380 Cell Line U-251 Homo sapiens LC50 > 100000 nM 18212109
NPT390 Cell Line LOX IMVI Homo sapiens LC50 > 100000 nM 18086856
NPT390 Cell Line LOX IMVI Homo sapiens TGI > 100000 nM 18086856
NPT375 Cell Line Malme-3M Homo sapiens TGI > 100000 nM 18086856
NPT387 Cell Line M14 Homo sapiens GI50 = 67608.3 nM 18086856
NPT375 Cell Line Malme-3M Homo sapiens LC50 > 100000 nM 18086856
NPT387 Cell Line M14 Homo sapiens LC50 = 34673.69 nM 18160520
NPT387 Cell Line M14 Homo sapiens TGI > 100000 nM 18160520
NPT375 Cell Line Malme-3M Homo sapiens GI50 = 83176.38 nM 19738026
NPT369 Cell Line ACHN Homo sapiens LC50 > 100000 nM 16038541
NPT308 Cell Line CAKI-1 Homo sapiens TGI > 100000 nM 16038541
NPT308 Cell Line CAKI-1 Homo sapiens GI50 < 100000 nM 16038541
NPT406 Cell Line RXF 393 Homo sapiens GI50 < 100000 nM 16038541
NPT308 Cell Line CAKI-1 Homo sapiens LC50 > 100000 nM 16038541
NPT406 Cell Line RXF 393 Homo sapiens LC50 > 100000 nM 16038541
NPT406 Cell Line RXF 393 Homo sapiens TGI > 100000 nM 14738380
NPT368 Cell Line SN12C Homo sapiens TGI > 100000 nM 7769391
NPT368 Cell Line SN12C Homo sapiens GI50 < 100000 nM 22560584
NPT370 Cell Line NCI-H23 Homo sapiens LC50 > 100000 nM 22413887
NPT370 Cell Line NCI-H23 Homo sapiens GI50 < 100000 nM 22413887
NPT370 Cell Line NCI-H23 Homo sapiens TGI > 100000 nM 22413887
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 85113.8 nM 22413887
NPT388 Cell Line NCI-H322M Homo sapiens TGI > 100000 nM 9677274
NPT388 Cell Line NCI-H322M Homo sapiens LC50 > 100000 nM 9677274
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 32359.37 nM 9677274
NPT457 Cell Line BT-549 Homo sapiens GI50 = 66069.34 nM 26241103
NPT402 Cell Line Hs-578T Homo sapiens LC50 > 100000 nM 15921441
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 = 97723.72 nM 10479318
NPT386 Cell Line KM12 Homo sapiens GI50 = 87096.36 nM 25946116
NPT398 Cell Line UACC-62 Homo sapiens TGI > 100000 nM 18434163
NPT398 Cell Line UACC-62 Homo sapiens GI50 < 100000 nM 18434163
NPT403 Cell Line UACC-257 Homo sapiens LC50 > 100000 nM 18434163
NPT403 Cell Line UACC-257 Homo sapiens TGI > 100000 nM 18457386
NPT2 Others Unspecified LC50 > 100000 nM 18788725
NPT2 Others Unspecified TGI > 100000 nM 17988764
NPT2 Others Unspecified GI50 = 38904.51 nM 17988764
NPT398 Cell Line UACC-62 Homo sapiens LC50 > 100000 nM 17988764
NPT456 Cell Line OVCAR-4 Homo sapiens TGI > 100000 nM 17988764
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 = 81283.05 nM 17988764
NPT139 Cell Line HT-29 Homo sapiens GI50 = 26302.68 nM DrugMatrix in vivo data: Pathology
NPT139 Cell Line HT-29 Homo sapiens TGI > 100000 nM DrugMatrix in vivo data: Pathology
NPT139 Cell Line HT-29 Homo sapiens LC50 > 100000 nM DrugMatrix in vivo data: Pathology
NPT393 Cell Line HCT-116 Homo sapiens LC50 = 34673.69 nM DrugMatrix in vivo data: Pathology
NPT148 Cell Line HCT-15 Homo sapiens GI50 = 35481.34 nM DrugMatrix in vivo data: Pathology
NPT148 Cell Line HCT-15 Homo sapiens TGI > 100000 nM DrugMatrix in vivo data: Pathology
NPT148 Cell Line HCT-15 Homo sapiens LC50 > 100000 nM DrugMatrix in vivo data: Pathology
NPT386 Cell Line KM12 Homo sapiens TGI > 100000 nM DrugMatrix in vivo data: Pathology
NPT386 Cell Line KM12 Homo sapiens LC50 > 100000 nM DrugMatrix in vivo data: Pathology
NPT83 Cell Line MCF7 Homo sapiens GI50 = 93325.43 nM 24087924
NPT90 Cell Line DU-145 Homo sapiens TGI > 100000 nM 24087924
NPT83 Cell Line MCF7 Homo sapiens TGI > 100000 nM 22672798
NPT401 Cell Line 786-0 Homo sapiens TGI > 100000 nM 17190457
NPT376 Cell Line A498 Homo sapiens GI50 = 3467.37 nM 12608857
NPT376 Cell Line A498 Homo sapiens TGI > 100000 nM 12608857
NPT458 Cell Line IGROV-1 Homo sapiens GI50 = 60255.96 nM 12608857
NPT458 Cell Line IGROV-1 Homo sapiens TGI > 100000 nM 12608857
NPT458 Cell Line IGROV-1 Homo sapiens LC50 > 100000 nM 12608857
NPT401 Cell Line 786-0 Homo sapiens GI50 = 91201.08 nM 12608857
NPT376 Cell Line A498 Homo sapiens LC50 > 100000 nM 12608857
NPT369 Cell Line ACHN Homo sapiens GI50 < 100000 nM 12608857
NPT407 Cell Line COLO 205 Homo sapiens LC50 > 100000 nM 23756062
NPT391 Cell Line HCC 2998 Homo sapiens LC50 > 100000 nM 23756062
NPT391 Cell Line HCC 2998 Homo sapiens TGI > 100000 nM 23756062
NPT455 Cell Line NCI-H522 Homo sapiens LC50 > 100000 nM 23756062
NPT455 Cell Line NCI-H522 Homo sapiens TGI > 100000 nM 23756062
NPT407 Cell Line COLO 205 Homo sapiens TGI > 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 < 100000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens TGI > 100000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 42657.95 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens LC50 > 100000 nM 10869203
NPT399 Cell Line SF-295 Homo sapiens TGI > 100000 nM 17938181
NPT395 Cell Line SF-268 Homo sapiens LC50 > 100000 nM 17938181
NPT395 Cell Line SF-268 Homo sapiens TGI > 100000 nM 17938181
NPT395 Cell Line SF-268 Homo sapiens GI50 < 100000 nM 17938181
NPT323 Cell Line SW-620 Homo sapiens LC50 > 100000 nM 17938181
NPT323 Cell Line SW-620 Homo sapiens TGI > 100000 nM 17938181
NPT323 Cell Line SW-620 Homo sapiens GI50 < 100000 nM 17938184
NPT374 Cell Line SF-539 Homo sapiens GI50 = 100000 nM 17938184
NPT399 Cell Line SF-295 Homo sapiens LC50 > 100000 nM 17875999
NPT369 Cell Line ACHN Homo sapiens TGI > 100000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 10000 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified IC50 = 3900 nM DrugMatrix in vitro pharmacology data
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 < 100000 nM DrugMatrix in vitro pharmacology data
NPT381 Cell Line OVCAR-8 Homo sapiens LC50 > 100000 nM DrugMatrix in vitro pharmacology data
NPT381 Cell Line OVCAR-8 Homo sapiens TGI > 100000 nM DrugMatrix in vitro pharmacology data
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 < 100000 nM DrugMatrix in vitro pharmacology data
NPT382 Cell Line OVCAR-5 Homo sapiens LC50 > 100000 nM DrugMatrix in vitro pharmacology data
NPT382 Cell Line OVCAR-5 Homo sapiens TGI > 100000 nM DrugMatrix in vitro pharmacology data
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 < 100000 nM DrugMatrix in vitro pharmacology data
NPT456 Cell Line OVCAR-4 Homo sapiens LC50 > 100000 nM DrugMatrix in vitro pharmacology data
NPT146 Cell Line SK-OV-3 Homo sapiens LC50 > 100000 nM DrugMatrix in vitro pharmacology data
NPT146 Cell Line SK-OV-3 Homo sapiens TGI > 100000 nM DrugMatrix in vitro pharmacology data
NPT81 Cell Line A549 Homo sapiens GI50 = 58884.37 nM 24387683
NPT81 Cell Line A549 Homo sapiens TGI > 100000 nM 24387683
NPT111 Cell Line K562 Homo sapiens TGI > 100000 nM 24387683
NPT111 Cell Line K562 Homo sapiens LC50 > 100000 nM 24387683
NPT112 Cell Line MOLT-4 Homo sapiens TGI = 30199.52 nM 24387683
NPT112 Cell Line MOLT-4 Homo sapiens GI50 < 100000 nM 24387683
NPT112 Cell Line MOLT-4 Homo sapiens LC50 > 100000 nM 24387683
NPT385 Cell Line SR Homo sapiens GI50 = 39810.72 nM 24387683
NPT385 Cell Line SR Homo sapiens LC50 > 100000 nM 15332839
NPT388 Cell Line NCI-H322M Homo sapiens GI50 < 100000 nM DrugMatrix in vitro pharmacology data
NPT397 Cell Line NCI-H460 Homo sapiens LC50 > 100000 nM DrugMatrix in vitro pharmacology data
NPT385 Cell Line SR Homo sapiens TGI > 100000 nM 18077425
NPT457 Cell Line BT-549 Homo sapiens TGI > 100000 nM 17346076
NPT82 Cell Line MDA-MB-231 Homo sapiens TGI > 100000 nM 17346076
NPT82 Cell Line MDA-MB-231 Homo sapiens LC50 > 100000 nM 2828553
NPT402 Cell Line Hs-578T Homo sapiens GI50 = 33113.11 nM 2828553
NPT402 Cell Line Hs-578T Homo sapiens TGI > 100000 nM 17291040
NPT400 Cell Line MDA-MB-435 Homo sapiens TGI > 100000 nM 17315963
NPT400 Cell Line MDA-MB-435 Homo sapiens LC50 > 100000 nM 17315963
NPT2 Others Unspecified IC50 > 10000 nM 17665895
NPT401 Cell Line 786-0 Homo sapiens LC50 > 100000 nM 18362191
NPT391 Cell Line HCC 2998 Homo sapiens GI50 < 100000 nM 18955520

  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 NPC189650 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
0.9648 High Similarity NPC97028
0.9648 High Similarity NPC158338
0.9648 High Similarity NPC97029
0.9648 High Similarity NPC65589
0.9648 High Similarity NPC100985
0.9648 High Similarity NPC288036
0.9577 High Similarity NPC7025
0.9577 High Similarity NPC27221
0.9577 High Similarity NPC256672
0.9574 High Similarity NPC473927
0.9507 High Similarity NPC123202
0.9507 High Similarity NPC22005
0.9507 High Similarity NPC7943
0.9384 High Similarity NPC210942
0.9384 High Similarity NPC169990
0.9384 High Similarity NPC329844
0.9379 High Similarity NPC232645
0.9379 High Similarity NPC72958
0.9379 High Similarity NPC474417
0.9379 High Similarity NPC149526
0.9362 High Similarity NPC167663
0.9315 High Similarity NPC87708
0.931 High Similarity NPC474660
0.9247 High Similarity NPC258249
0.9247 High Similarity NPC478148
0.9236 High Similarity NPC34802
0.9231 High Similarity NPC49282
0.9225 High Similarity NPC84266
0.922 High Similarity NPC171094
0.9209 High Similarity NPC161196
0.9184 High Similarity NPC40356
0.9184 High Similarity NPC154683
0.9178 High Similarity NPC473466
0.9178 High Similarity NPC325983
0.9155 High Similarity NPC94076
0.9155 High Similarity NPC182255
0.911 High Similarity NPC329933
0.911 High Similarity NPC10027
0.911 High Similarity NPC65775
0.911 High Similarity NPC291049
0.911 High Similarity NPC233267
0.9091 High Similarity NPC310340
0.9091 High Similarity NPC215451
0.9091 High Similarity NPC277369
0.9078 High Similarity NPC17848
0.9073 High Similarity NPC186325
0.9071 High Similarity NPC254741
0.9058 High Similarity NPC473655
0.9058 High Similarity NPC101294
0.9054 High Similarity NPC217447
0.9048 High Similarity NPC202595
0.9041 High Similarity NPC105415
0.9014 High Similarity NPC109007
0.9013 High Similarity NPC66288
0.9013 High Similarity NPC189552
0.9013 High Similarity NPC273467
0.9007 High Similarity NPC177650
0.9007 High Similarity NPC259685
0.9 High Similarity NPC46869
0.9 High Similarity NPC180924
0.8993 High Similarity NPC214632
0.8993 High Similarity NPC473664
0.8993 High Similarity NPC292998
0.8986 High Similarity NPC278556
0.8986 High Similarity NPC133856
0.898 High Similarity NPC269420
0.8973 High Similarity NPC312929
0.8973 High Similarity NPC245584
0.8973 High Similarity NPC190648
0.8973 High Similarity NPC126767
0.8973 High Similarity NPC118027
0.8973 High Similarity NPC289042
0.8973 High Similarity NPC259632
0.8973 High Similarity NPC56433
0.8951 High Similarity NPC275734
0.8951 High Similarity NPC159275
0.8951 High Similarity NPC150522
0.8951 High Similarity NPC241100
0.8947 High Similarity NPC312993
0.894 High Similarity NPC164110
0.894 High Similarity NPC246647
0.894 High Similarity NPC96342
0.894 High Similarity NPC212967
0.8926 High Similarity NPC273483
0.8926 High Similarity NPC175978
0.8919 High Similarity NPC158866
0.8919 High Similarity NPC227122
0.8919 High Similarity NPC470568
0.8912 High Similarity NPC37139
0.8912 High Similarity NPC472056
0.8904 High Similarity NPC196114
0.8904 High Similarity NPC225173
0.8904 High Similarity NPC187282
0.8904 High Similarity NPC163846
0.8904 High Similarity NPC290133
0.8904 High Similarity NPC24136
0.8897 High Similarity NPC11700
0.8897 High Similarity NPC17262
0.8896 High Similarity NPC270837
0.8889 High Similarity NPC282300
0.8889 High Similarity NPC103362
0.8889 High Similarity NPC29536
0.8889 High Similarity NPC24075
0.8889 High Similarity NPC471640
0.8889 High Similarity NPC471644
0.8889 High Similarity NPC110969
0.8882 High Similarity NPC55443
0.8882 High Similarity NPC85121
0.8882 High Similarity NPC18699
0.8881 High Similarity NPC11566
0.8881 High Similarity NPC217186
0.8881 High Similarity NPC301217
0.8881 High Similarity NPC55018
0.8881 High Similarity NPC18260
0.8881 High Similarity NPC78913
0.8881 High Similarity NPC96565
0.8881 High Similarity NPC220062
0.8881 High Similarity NPC473209
0.8881 High Similarity NPC303633
0.8881 High Similarity NPC53181
0.8881 High Similarity NPC216978
0.8874 High Similarity NPC146211
0.8873 High Similarity NPC157855
0.8867 High Similarity NPC135522
0.8867 High Similarity NPC193200
0.8867 High Similarity NPC178964
0.8867 High Similarity NPC280530
0.8867 High Similarity NPC95842
0.8867 High Similarity NPC93552
0.8865 High Similarity NPC99854
0.8859 High Similarity NPC470569
0.8859 High Similarity NPC189773
0.8857 High Similarity NPC223354
0.8851 High Similarity NPC473978
0.8851 High Similarity NPC474052
0.8849 High Similarity NPC284424
0.8844 High Similarity NPC125801
0.8839 High Similarity NPC469664
0.8836 High Similarity NPC271288
0.8836 High Similarity NPC216538
0.8836 High Similarity NPC311741
0.8836 High Similarity NPC134621
0.8836 High Similarity NPC224714
0.8836 High Similarity NPC179970
0.8836 High Similarity NPC234629
0.8836 High Similarity NPC273538
0.8836 High Similarity NPC471590
0.8832 High Similarity NPC473907
0.8831 High Similarity NPC294965
0.8828 High Similarity NPC226636
0.8828 High Similarity NPC476054
0.8828 High Similarity NPC1534
0.8828 High Similarity NPC9966
0.8828 High Similarity NPC70853
0.8828 High Similarity NPC471639
0.8828 High Similarity NPC471643
0.8828 High Similarity NPC11561
0.8824 High Similarity NPC470810
0.8819 High Similarity NPC261227
0.8819 High Similarity NPC472409
0.8819 High Similarity NPC172986
0.8819 High Similarity NPC270883
0.8816 High Similarity NPC263483
0.8816 High Similarity NPC201127
0.8816 High Similarity NPC44199
0.8816 High Similarity NPC272196
0.8816 High Similarity NPC268360
0.8811 High Similarity NPC131130
0.8811 High Similarity NPC201395
0.8808 High Similarity NPC89625
0.8808 High Similarity NPC66508
0.8808 High Similarity NPC149618
0.8808 High Similarity NPC254351
0.8808 High Similarity NPC226656
0.8808 High Similarity NPC148938
0.8803 High Similarity NPC72452
0.8803 High Similarity NPC61546
0.8803 High Similarity NPC268081
0.8803 High Similarity NPC174999
0.88 High Similarity NPC45934
0.88 High Similarity NPC142527
0.8794 High Similarity NPC125269
0.8792 High Similarity NPC150928
0.8792 High Similarity NPC294646
0.8792 High Similarity NPC290954
0.8792 High Similarity NPC255641
0.8792 High Similarity NPC189270
0.8792 High Similarity NPC5840
0.8792 High Similarity NPC37348
0.8792 High Similarity NPC147735
0.8792 High Similarity NPC472633
0.8786 High Similarity NPC182428
0.8786 High Similarity NPC229646
0.8784 High Similarity NPC472841
0.8784 High Similarity NPC476342
0.8777 High Similarity NPC301717
0.8776 High Similarity NPC237208
0.8776 High Similarity NPC470676
0.8776 High Similarity NPC473132
0.8776 High Similarity NPC130176

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC189650 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
0.8936 High Similarity NPD2796 Approved
0.8867 High Similarity NPD7819 Suspended
0.8836 High Similarity NPD4378 Clinical (unspecified phase)
0.8766 High Similarity NPD6959 Discontinued
0.8497 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8493 Intermediate Similarity NPD1243 Approved
0.8472 Intermediate Similarity NPD3748 Approved
0.8456 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8425 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8356 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8356 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8354 Intermediate Similarity NPD6232 Discontinued
0.8345 Intermediate Similarity NPD1510 Phase 2
0.8344 Intermediate Similarity NPD5494 Approved
0.8333 Intermediate Similarity NPD1607 Approved
0.8333 Intermediate Similarity NPD2532 Approved
0.8333 Intermediate Similarity NPD2533 Approved
0.8333 Intermediate Similarity NPD2534 Approved
0.8323 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8313 Intermediate Similarity NPD7473 Discontinued
0.8301 Intermediate Similarity NPD6599 Discontinued
0.8299 Intermediate Similarity NPD1549 Phase 2
0.8267 Intermediate Similarity NPD1511 Approved
0.8258 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8258 Intermediate Similarity NPD2801 Approved
0.8247 Intermediate Similarity NPD7411 Suspended
0.8224 Intermediate Similarity NPD920 Approved
0.8219 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8205 Intermediate Similarity NPD3817 Phase 2
0.82 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD6801 Discontinued
0.8194 Intermediate Similarity NPD1240 Approved
0.8194 Intermediate Similarity NPD1934 Approved
0.8188 Intermediate Similarity NPD3750 Approved
0.8182 Intermediate Similarity NPD4380 Phase 2
0.8158 Intermediate Similarity NPD1512 Approved
0.8146 Intermediate Similarity NPD7390 Discontinued
0.8146 Intermediate Similarity NPD6799 Approved
0.8117 Intermediate Similarity NPD3226 Approved
0.8108 Intermediate Similarity NPD2346 Discontinued
0.8101 Intermediate Similarity NPD7075 Discontinued
0.8098 Intermediate Similarity NPD5844 Phase 1
0.8092 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.805 Intermediate Similarity NPD919 Approved
0.8041 Intermediate Similarity NPD6099 Approved
0.8041 Intermediate Similarity NPD6100 Approved
0.8038 Intermediate Similarity NPD7768 Phase 2
0.8025 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD2800 Approved
0.7987 Intermediate Similarity NPD3749 Approved
0.7971 Intermediate Similarity NPD1651 Approved
0.7963 Intermediate Similarity NPD3926 Phase 2
0.795 Intermediate Similarity NPD1247 Approved
0.7925 Intermediate Similarity NPD3882 Suspended
0.7881 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7875 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD4625 Phase 3
0.7852 Intermediate Similarity NPD2799 Discontinued
0.7844 Intermediate Similarity NPD6559 Discontinued
0.7808 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD6166 Phase 2
0.7805 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD1551 Phase 2
0.78 Intermediate Similarity NPD2935 Discontinued
0.7771 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7748 Intermediate Similarity NPD1471 Phase 3
0.7746 Intermediate Similarity NPD3972 Approved
0.7718 Intermediate Similarity NPD6651 Approved
0.7712 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD3818 Discontinued
0.7692 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD2313 Discontinued
0.7683 Intermediate Similarity NPD5710 Approved
0.7683 Intermediate Similarity NPD5711 Approved
0.7676 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7676 Intermediate Similarity NPD1281 Approved
0.7671 Intermediate Similarity NPD6832 Phase 2
0.7665 Intermediate Similarity NPD7054 Approved
0.7658 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7655 Intermediate Similarity NPD2798 Approved
0.7647 Intermediate Similarity NPD2654 Approved
0.7643 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD5403 Approved
0.764 Intermediate Similarity NPD5402 Approved
0.7632 Intermediate Similarity NPD2344 Approved
0.7628 Intermediate Similarity NPD5401 Approved
0.7619 Intermediate Similarity NPD7472 Approved
0.7619 Intermediate Similarity NPD7074 Phase 3
0.7597 Intermediate Similarity NPD4628 Phase 3
0.7593 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD3266 Approved
0.7586 Intermediate Similarity NPD3267 Approved
0.7584 Intermediate Similarity NPD2979 Phase 3
0.7584 Intermediate Similarity NPD4307 Phase 2
0.7578 Intermediate Similarity NPD1465 Phase 2
0.7576 Intermediate Similarity NPD7229 Phase 3
0.7574 Intermediate Similarity NPD6797 Phase 2
0.7566 Intermediate Similarity NPD5404 Approved
0.7566 Intermediate Similarity NPD5408 Approved
0.7566 Intermediate Similarity NPD5406 Approved
0.7566 Intermediate Similarity NPD5405 Approved
0.7535 Intermediate Similarity NPD17 Approved
0.7533 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD7251 Discontinued
0.7517 Intermediate Similarity NPD1283 Approved
0.7516 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD7808 Phase 3
0.7484 Intermediate Similarity NPD7003 Approved
0.7471 Intermediate Similarity NPD5953 Discontinued
0.7465 Intermediate Similarity NPD5691 Approved
0.7451 Intermediate Similarity NPD2438 Suspended
0.745 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD3268 Approved
0.7436 Intermediate Similarity NPD2309 Approved
0.7431 Intermediate Similarity NPD1201 Approved
0.7423 Intermediate Similarity NPD4288 Approved
0.7397 Intermediate Similarity NPD1876 Approved
0.7396 Intermediate Similarity NPD7177 Discontinued
0.7386 Intermediate Similarity NPD4308 Phase 3
0.7384 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD1608 Approved
0.7372 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD7286 Phase 2
0.7351 Intermediate Similarity NPD943 Approved
0.7347 Intermediate Similarity NPD2797 Approved
0.7347 Intermediate Similarity NPD1470 Approved
0.7345 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD2531 Phase 2
0.7333 Intermediate Similarity NPD1296 Phase 2
0.7329 Intermediate Similarity NPD4749 Approved
0.7315 Intermediate Similarity NPD4908 Phase 1
0.731 Intermediate Similarity NPD1611 Approved
0.7305 Intermediate Similarity NPD7199 Phase 2
0.7303 Intermediate Similarity NPD1933 Approved
0.7292 Intermediate Similarity NPD4626 Approved
0.7285 Intermediate Similarity NPD8032 Phase 2
0.7278 Intermediate Similarity NPD2403 Approved
0.7273 Intermediate Similarity NPD7033 Discontinued
0.7263 Intermediate Similarity NPD4360 Phase 2
0.7263 Intermediate Similarity NPD4363 Phase 3
0.7262 Intermediate Similarity NPD3787 Discontinued
0.7253 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD6273 Approved
0.7241 Intermediate Similarity NPD8312 Approved
0.7241 Intermediate Similarity NPD8313 Approved
0.7239 Intermediate Similarity NPD5889 Approved
0.7239 Intermediate Similarity NPD5890 Approved
0.7232 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD1203 Approved
0.7222 Intermediate Similarity NPD4361 Phase 2
0.7222 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7458 Discontinued
0.7219 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD411 Approved
0.7212 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD37 Approved
0.7195 Intermediate Similarity NPD6280 Approved
0.7195 Intermediate Similarity NPD6279 Approved
0.7193 Intermediate Similarity NPD3751 Discontinued
0.7192 Intermediate Similarity NPD1610 Phase 2
0.7188 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD6585 Discontinued
0.7169 Intermediate Similarity NPD4966 Approved
0.7169 Intermediate Similarity NPD4965 Approved
0.7169 Intermediate Similarity NPD4967 Phase 2
0.7168 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD1241 Discontinued
0.7153 Intermediate Similarity NPD1548 Phase 1
0.7143 Intermediate Similarity NPD9717 Approved
0.7128 Intermediate Similarity NPD8151 Discontinued
0.7115 Intermediate Similarity NPD4476 Approved
0.7115 Intermediate Similarity NPD4477 Approved
0.7107 Intermediate Similarity NPD3295 Clinical (unspecified phase)
0.7104 Intermediate Similarity NPD8285 Discontinued
0.7083 Intermediate Similarity NPD6234 Discontinued
0.7078 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD5124 Phase 1
0.7076 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD422 Phase 1
0.707 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD1019 Discontinued
0.7065 Intermediate Similarity NPD6781 Approved
0.7065 Intermediate Similarity NPD6778 Approved
0.7065 Intermediate Similarity NPD6782 Approved
0.7065 Intermediate Similarity NPD6780 Approved
0.7065 Intermediate Similarity NPD6777 Approved
0.7065 Intermediate Similarity NPD6776 Approved
0.7065 Intermediate Similarity NPD6779 Approved
0.7059 Intermediate Similarity NPD6808 Phase 2
0.7055 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD3225 Approved
0.7039 Intermediate Similarity NPD4287 Approved
0.703 Intermediate Similarity NPD7615 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44445792
ChEMBL   CHEMBL251900
ZINC  

Physicochemical Properties

Molecular Weight:  328.13
ALogP:  -0.6401
MLogP:  3
XLogP:  2.865
# Rotatable Bonds:  9
Polar Surface Area:  53.99
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  24

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Structure MOL file  
Source Organisms  
Biological Activities  
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