Natural Product: NPC318525

Natural Product ID:  NPC318525
Common Name:   5A-Hydroxy-10,11-Dimethoxy-2,4A,5,7,8,13A,15,15A,15B,16-Decahydro4,6-Methanoindolo[3,2,1-Ij]Oxepino[2,3,4-De]Pyrrolo[2,3-H]Quinoline-14-One
IUPAC Name:   5a-hydroxy-10,11-dimethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one
Synonyms:  
Molecular Formula:   C23H26N2O5
Standard InCHIKey:  JNNROFOMHXIAMQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C23H26N2O5/c1-28-16-7-14-15(8-17(16)29-2)25-19(26)9-18-20-13-10-23(27)22(14,21(20)25)4-5-24(23)11-12(13)3-6-30-18/h3,7-8,13,18,20-21,27H,4-6,9-11H2,1-2H3
Canonical SMILES:  COc1cc2c(cc1OC)N1C3C42CCN2C4(O)CC4C3C(CC1=O)OCC=C4C2
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
NPO30369 Strychnosn nux-vomica NA NA NA TCM_Taiwan*

  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 100000 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 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
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 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
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 100000 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 100000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 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
NPT396 Cell Line T47D Homo sapiens GI50 100000 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 100000 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 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
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 NPC318525 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
1.0 High Similarity NPC10653
0.9641 High Similarity NPC159815
0.898 High Similarity NPC67904
0.898 High Similarity NPC138830
0.8775 High Similarity NPC10732
0.8693 High Similarity NPC127178
0.852 High Similarity NPC22689
0.852 High Similarity NPC105055
0.8436 Intermediate Similarity NPC288110
0.8419 Intermediate Similarity NPC473458
0.8318 Intermediate Similarity NPC291173
0.8271 Intermediate Similarity NPC128476
0.8214 Intermediate Similarity NPC477395
0.8169 Intermediate Similarity NPC195636
0.8165 Intermediate Similarity NPC471513
0.8157 Intermediate Similarity NPC19175
0.8157 Intermediate Similarity NPC231924
0.8152 Intermediate Similarity NPC127996
0.8143 Intermediate Similarity NPC269449
0.8142 Intermediate Similarity NPC477393
0.8084 Intermediate Similarity NPC126556
0.807 Intermediate Similarity NPC477396
0.8056 Intermediate Similarity NPC476069
0.8009 Intermediate Similarity NPC222046
0.799 Intermediate Similarity NPC475147
0.7981 Intermediate Similarity NPC119722
0.798 Intermediate Similarity NPC473004
0.7953 Intermediate Similarity NPC234772
0.7934 Intermediate Similarity NPC82541
0.7928 Intermediate Similarity NPC477397
0.7925 Intermediate Similarity NPC475133
0.7919 Intermediate Similarity NPC470480
0.7913 Intermediate Similarity NPC161804
0.788 Intermediate Similarity NPC77777
0.7857 Intermediate Similarity NPC214626
0.7857 Intermediate Similarity NPC139085
0.7857 Intermediate Similarity NPC251212
0.784 Intermediate Similarity NPC477160
0.782 Intermediate Similarity NPC470484
0.781 Intermediate Similarity NPC473005
0.7788 Intermediate Similarity NPC160113
0.7788 Intermediate Similarity NPC476220
0.7783 Intermediate Similarity NPC21425
0.7778 Intermediate Similarity NPC473006
0.7773 Intermediate Similarity NPC46259
0.7772 Intermediate Similarity NPC473007
0.7745 Intermediate Similarity NPC477186
0.7736 Intermediate Similarity NPC87714
0.7729 Intermediate Similarity NPC230313
0.7729 Intermediate Similarity NPC243626
0.7713 Intermediate Similarity NPC266994
0.7707 Intermediate Similarity NPC473008
0.7703 Intermediate Similarity NPC100863
0.7681 Intermediate Similarity NPC470485
0.7679 Intermediate Similarity NPC248903
0.7658 Intermediate Similarity NPC148124
0.7658 Intermediate Similarity NPC250960
0.7658 Intermediate Similarity NPC71539
0.7652 Intermediate Similarity NPC476258
0.7652 Intermediate Similarity NPC304837
0.7644 Intermediate Similarity NPC74216
0.7634 Intermediate Similarity NPC476436
0.7634 Intermediate Similarity NPC26928
0.7613 Intermediate Similarity NPC99724
0.7598 Intermediate Similarity NPC154922
0.7585 Intermediate Similarity NPC470483
0.758 Intermediate Similarity NPC189661
0.757 Intermediate Similarity NPC14339
0.7569 Intermediate Similarity NPC470481
0.7569 Intermediate Similarity NPC470482
0.7562 Intermediate Similarity NPC260075
0.7548 Intermediate Similarity NPC204970
0.7535 Intermediate Similarity NPC195787
0.7535 Intermediate Similarity NPC246140
0.7512 Intermediate Similarity NPC168250
0.7511 Intermediate Similarity NPC477394
0.7489 Intermediate Similarity NPC120239
0.7467 Intermediate Similarity NPC476429
0.7456 Intermediate Similarity NPC470821
0.7452 Intermediate Similarity NPC474059
0.7452 Intermediate Similarity NPC473569
0.7444 Intermediate Similarity NPC108826
0.7436 Intermediate Similarity NPC113455
0.743 Intermediate Similarity NPC471512
0.7425 Intermediate Similarity NPC469450
0.7416 Intermediate Similarity NPC22476
0.7407 Intermediate Similarity NPC268077
0.7406 Intermediate Similarity NPC272706
0.7393 Intermediate Similarity NPC221687
0.7373 Intermediate Similarity NPC477161
0.7371 Intermediate Similarity NPC17677
0.7371 Intermediate Similarity NPC71124
0.7366 Intermediate Similarity NPC190461
0.7362 Intermediate Similarity NPC469452
0.7362 Intermediate Similarity NPC469451
0.7362 Intermediate Similarity NPC469722
0.7361 Intermediate Similarity NPC207971
0.7349 Intermediate Similarity NPC471489
0.7339 Intermediate Similarity NPC478075
0.7321 Intermediate Similarity NPC230098
0.7321 Intermediate Similarity NPC320088
0.7308 Intermediate Similarity NPC474746
0.7308 Intermediate Similarity NPC475981
0.73 Intermediate Similarity NPC329932
0.7295 Intermediate Similarity NPC115906
0.7291 Intermediate Similarity NPC311991
0.729 Intermediate Similarity NPC23080
0.729 Intermediate Similarity NPC193906
0.7289 Intermediate Similarity NPC219397
0.7286 Intermediate Similarity NPC312531
0.7282 Intermediate Similarity NPC294790
0.7282 Intermediate Similarity NPC118633
0.7282 Intermediate Similarity NPC148693
0.7277 Intermediate Similarity NPC97100
0.7277 Intermediate Similarity NPC473375
0.7269 Intermediate Similarity NPC232600
0.7265 Intermediate Similarity NPC131977
0.726 Intermediate Similarity NPC102760
0.726 Intermediate Similarity NPC308943
0.7256 Intermediate Similarity NPC5374
0.7251 Intermediate Similarity NPC203628
0.7246 Intermediate Similarity NPC474745
0.7243 Intermediate Similarity NPC162440
0.7235 Intermediate Similarity NPC1464
0.7235 Intermediate Similarity NPC474077
0.7234 Intermediate Similarity NPC301501
0.7233 Intermediate Similarity NPC222524
0.7229 Intermediate Similarity NPC223242
0.7227 Intermediate Similarity NPC207873
0.7227 Intermediate Similarity NPC100573
0.7207 Intermediate Similarity NPC220241
0.7207 Intermediate Similarity NPC295479
0.7206 Intermediate Similarity NPC474708
0.7204 Intermediate Similarity NPC5630
0.7204 Intermediate Similarity NPC208890
0.7198 Intermediate Similarity NPC474325
0.7198 Intermediate Similarity NPC15919
0.7196 Intermediate Similarity NPC303214
0.719 Intermediate Similarity NPC214629
0.7188 Intermediate Similarity NPC55470
0.7184 Intermediate Similarity NPC304675
0.7183 Intermediate Similarity NPC254957
0.7171 Intermediate Similarity NPC65403
0.7169 Intermediate Similarity NPC329833
0.7167 Intermediate Similarity NPC139373
0.7163 Intermediate Similarity NPC24228
0.7163 Intermediate Similarity NPC66909
0.7161 Intermediate Similarity NPC151171
0.7157 Intermediate Similarity NPC477185
0.7157 Intermediate Similarity NPC475845
0.7156 Intermediate Similarity NPC477259
0.7156 Intermediate Similarity NPC169387
0.715 Intermediate Similarity NPC237044
0.7149 Intermediate Similarity NPC317709
0.7149 Intermediate Similarity NPC133609
0.7149 Intermediate Similarity NPC329329
0.7143 Intermediate Similarity NPC276674
0.7143 Intermediate Similarity NPC33902
0.7136 Intermediate Similarity NPC477187
0.7136 Intermediate Similarity NPC285941
0.7131 Intermediate Similarity NPC475816
0.713 Intermediate Similarity NPC122886
0.7124 Intermediate Similarity NPC313327
0.7123 Intermediate Similarity NPC174629
0.7123 Intermediate Similarity NPC473460
0.7119 Intermediate Similarity NPC189079
0.7119 Intermediate Similarity NPC184680
0.7116 Intermediate Similarity NPC162653
0.7108 Intermediate Similarity NPC57812
0.7108 Intermediate Similarity NPC474324
0.7103 Intermediate Similarity NPC203972
0.7103 Intermediate Similarity NPC302001
0.7103 Intermediate Similarity NPC78284
0.7098 Intermediate Similarity NPC116178
0.7097 Intermediate Similarity NPC267414
0.7095 Intermediate Similarity NPC52262
0.7089 Intermediate Similarity NPC470785
0.7083 Intermediate Similarity NPC472191
0.7081 Intermediate Similarity NPC220961
0.7079 Intermediate Similarity NPC70172
0.7079 Intermediate Similarity NPC472106
0.7078 Intermediate Similarity NPC475747
0.7073 Intermediate Similarity NPC96901
0.7067 Intermediate Similarity NPC474470
0.7067 Intermediate Similarity NPC321166
0.7067 Intermediate Similarity NPC217903
0.7065 Intermediate Similarity NPC472101
0.7065 Intermediate Similarity NPC472120
0.7064 Intermediate Similarity NPC474427
0.7061 Intermediate Similarity NPC37957
0.7059 Intermediate Similarity NPC476500
0.7059 Intermediate Similarity NPC469915
0.7048 Intermediate Similarity NPC179704
0.7045 Intermediate Similarity NPC284685
0.7044 Intermediate Similarity NPC320104
0.7043 Intermediate Similarity NPC251071
0.7042 Intermediate Similarity NPC474904
0.7042 Intermediate Similarity NPC237579
0.7037 Intermediate Similarity NPC477258
0.7032 Intermediate Similarity NPC201055

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC318525 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
0.7562 Intermediate Similarity NPD5312 Approved
0.7562 Intermediate Similarity NPD5313 Approved
0.7524 Intermediate Similarity NPD5582 Discontinued
0.7302 Intermediate Similarity NPD7255 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD2971 Approved
0.7295 Intermediate Similarity NPD2968 Approved
0.7269 Intermediate Similarity NPD6997 Phase 2
0.7251 Intermediate Similarity NPD2488 Approved
0.7251 Intermediate Similarity NPD2490 Approved
0.7209 Intermediate Similarity NPD5071 Phase 2
0.7188 Intermediate Similarity NPD7559 Phase 2
0.7163 Intermediate Similarity NPD2974 Approved
0.7163 Intermediate Similarity NPD2975 Approved
0.7163 Intermediate Similarity NPD2973 Approved
0.7156 Intermediate Similarity NPD6608 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3051 Approved
0.7143 Intermediate Similarity NPD4580 Approved
0.7108 Intermediate Similarity NPD2970 Approved
0.7108 Intermediate Similarity NPD2969 Approved
0.7073 Intermediate Similarity NPD4481 Phase 3
0.7064 Intermediate Similarity NPD6625 Approved
0.7064 Intermediate Similarity NPD6723 Discontinued
0.7059 Intermediate Similarity NPD7174 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD5600 Discontinued
0.7045 Intermediate Similarity NPD7955 Approved
0.7045 Intermediate Similarity NPD7956 Approved
0.7032 Intermediate Similarity NPD3452 Approved
0.7032 Intermediate Similarity NPD3450 Approved
0.7032 Intermediate Similarity NPD2493 Approved
0.7032 Intermediate Similarity NPD2494 Approved
0.7014 Intermediate Similarity NPD4040 Phase 1
0.7014 Intermediate Similarity NPD4582 Approved
0.7014 Intermediate Similarity NPD4583 Approved
0.7004 Intermediate Similarity NPD7047 Phase 3
0.7 Intermediate Similarity NPD956 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7805 Phase 3
0.6996 Remote Similarity NPD4859 Phase 1
0.6995 Remote Similarity NPD5620 Clinical (unspecified phase)
0.699 Remote Similarity NPD2489 Approved
0.699 Remote Similarity NPD27 Approved
0.6976 Remote Similarity NPD4166 Phase 2
0.6975 Remote Similarity NPD7048 Phase 3
0.6968 Remote Similarity NPD4002 Approved
0.6968 Remote Similarity NPD4004 Approved
0.6968 Remote Similarity NPD7064 Clinical (unspecified phase)
0.6967 Remote Similarity NPD7281 Phase 3
0.6967 Remote Similarity NPD7280 Phase 3
0.6959 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6957 Remote Similarity NPD3437 Discontinued
0.6949 Remote Similarity NPD4885 Approved
0.6946 Remote Similarity NPD6533 Clinical (unspecified phase)
0.6934 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6919 Remote Similarity NPD3639 Approved
0.6919 Remote Similarity NPD3641 Approved
0.6919 Remote Similarity NPD3640 Phase 3
0.6917 Remote Similarity NPD8017 Clinical (unspecified phase)
0.6917 Remote Similarity NPD8016 Phase 3
0.6905 Remote Similarity NPD7803 Approved
0.6895 Remote Similarity NPD4420 Approved
0.6887 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6885 Remote Similarity NPD8459 Approved
0.6885 Remote Similarity NPD8460 Approved
0.6883 Remote Similarity NPD7858 Clinical (unspecified phase)
0.688 Remote Similarity NPD7186 Phase 3
0.6878 Remote Similarity NPD6238 Discontinued
0.6872 Remote Similarity NPD7149 Clinical (unspecified phase)
0.6867 Remote Similarity NPD3912 Discontinued
0.6864 Remote Similarity NPD6874 Approved
0.6858 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6857 Remote Similarity NPD7479 Phase 2
0.6856 Remote Similarity NPD5025 Approved
0.6852 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6849 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6847 Remote Similarity NPD5005 Approved
0.6847 Remote Similarity NPD5006 Approved
0.6847 Remote Similarity NPD3057 Approved
0.684 Remote Similarity NPD2899 Discontinued
0.684 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6833 Remote Similarity NPD4846 Phase 2
0.6828 Remote Similarity NPD5676 Approved
0.6827 Remote Similarity NPD6365 Clinical (unspecified phase)
0.6814 Remote Similarity NPD3591 Approved
0.6814 Remote Similarity NPD3592 Approved
0.6812 Remote Similarity NPD6071 Discontinued
0.6808 Remote Similarity NPD7312 Approved
0.6808 Remote Similarity NPD7313 Approved
0.6808 Remote Similarity NPD7310 Approved
0.6808 Remote Similarity NPD7311 Approved
0.6806 Remote Similarity NPD2845 Phase 2
0.6806 Remote Similarity NPD2843 Phase 2
0.68 Remote Similarity NPD7263 Phase 2
0.6795 Remote Similarity NPD8467 Approved
0.6795 Remote Similarity NPD8466 Approved
0.6795 Remote Similarity NPD8465 Approved
0.6794 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5102 Clinical (unspecified phase)
0.6783 Remote Similarity NPD5561 Approved
0.6783 Remote Similarity NPD5562 Approved
0.6783 Remote Similarity NPD8149 Discontinued
0.6782 Remote Similarity NPD4773 Phase 2
0.6782 Remote Similarity NPD4772 Phase 2
0.6776 Remote Similarity NPD7309 Approved
0.6776 Remote Similarity NPD6851 Approved
0.6776 Remote Similarity NPD6853 Approved
0.6774 Remote Similarity NPD6656 Clinical (unspecified phase)
0.6771 Remote Similarity NPD3533 Approved
0.6771 Remote Similarity NPD2972 Approved
0.677 Remote Similarity NPD8027 Approved
0.6763 Remote Similarity NPD3984 Clinical (unspecified phase)
0.6763 Remote Similarity NPD6107 Approved
0.6763 Remote Similarity NPD3983 Phase 3
0.6759 Remote Similarity NPD7906 Approved
0.6757 Remote Similarity NPD4107 Approved
0.6754 Remote Similarity NPD683 Approved
0.6746 Remote Similarity NPD7708 Approved
0.6745 Remote Similarity NPD6297 Approved
0.6734 Remote Similarity NPD4584 Approved
0.673 Remote Similarity NPD5334 Clinical (unspecified phase)
0.6729 Remote Similarity NPD4578 Approved
0.6729 Remote Similarity NPD4577 Approved
0.6729 Remote Similarity NPD5917 Clinical (unspecified phase)
0.6726 Remote Similarity NPD3416 Discontinued
0.6725 Remote Similarity NPD7225 Discontinued
0.6723 Remote Similarity NPD7820 Phase 3
0.6713 Remote Similarity NPD4663 Approved
0.6712 Remote Similarity NPD7262 Phase 1
0.6711 Remote Similarity NPD6644 Discontinued
0.6707 Remote Similarity NPD7859 Phase 2
0.6698 Remote Similarity NPD5900 Clinical (unspecified phase)
0.6696 Remote Similarity NPD2491 Approved
0.6696 Remote Similarity NPD3448 Approved
0.6695 Remote Similarity NPD7821 Clinical (unspecified phase)
0.6692 Remote Similarity NPD8425 Approved
0.6692 Remote Similarity NPD8426 Approved
0.6683 Remote Similarity NPD6457 Approved
0.6682 Remote Similarity NPD7291 Discontinued
0.6682 Remote Similarity NPD4498 Clinical (unspecified phase)
0.668 Remote Similarity NPD8358 Approved
0.668 Remote Similarity NPD4926 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8429 Approved
0.6667 Remote Similarity NPD8427 Approved
0.6667 Remote Similarity NPD7296 Approved
0.6667 Remote Similarity NPD4796 Discontinued
0.6667 Remote Similarity NPD6503 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8428 Approved
0.6653 Remote Similarity NPD7278 Phase 2
0.6653 Remote Similarity NPD7279 Phase 2
0.6652 Remote Similarity NPD4482 Phase 3
0.6651 Remote Similarity NPD5186 Approved
0.6651 Remote Similarity NPD5896 Clinical (unspecified phase)
0.6651 Remote Similarity NPD5183 Approved
0.6651 Remote Similarity NPD5521 Clinical (unspecified phase)
0.6651 Remote Similarity NPD3793 Phase 3
0.665 Remote Similarity NPD1743 Approved
0.665 Remote Similarity NPD19 Approved
0.665 Remote Similarity NPD1742 Approved
0.664 Remote Similarity NPD8359 Phase 2
0.6639 Remote Similarity NPD7560 Approved
0.6639 Remote Similarity NPD7922 Phase 1
0.6636 Remote Similarity NPD4084 Clinical (unspecified phase)
0.6628 Remote Similarity NPD8364 Approved
0.6628 Remote Similarity NPD8363 Approved
0.6622 Remote Similarity NPD3106 Clinical (unspecified phase)
0.662 Remote Similarity NPD6618 Phase 2
0.6618 Remote Similarity NPD7110 Phase 1
0.6618 Remote Similarity NPD7109 Clinical (unspecified phase)
0.6602 Remote Similarity NPD2560 Approved
0.6602 Remote Similarity NPD2563 Approved
0.6601 Remote Similarity NPD8091 Phase 3
0.6593 Remote Similarity NPD7497 Discontinued
0.6591 Remote Similarity NPD3633 Approved
0.6591 Remote Similarity NPD3634 Approved
0.6589 Remote Similarity NPD6496 Clinical (unspecified phase)
0.6583 Remote Similarity NPD4981 Phase 2
0.658 Remote Similarity NPD7827 Phase 1
0.6578 Remote Similarity NPD6321 Discontinued
0.6577 Remote Similarity NPD8365 Clinical (unspecified phase)
0.6573 Remote Similarity NPD8156 Discontinued
0.6568 Remote Similarity NPD7907 Approved
0.6561 Remote Similarity NPD3631 Phase 3
0.6561 Remote Similarity NPD6046 Clinical (unspecified phase)
0.6553 Remote Similarity NPD4111 Phase 1
0.6553 Remote Similarity NPD4665 Approved
0.6552 Remote Similarity NPD814 Clinical (unspecified phase)
0.655 Remote Similarity NPD5658 Approved
0.655 Remote Similarity NPD2916 Discontinued
0.6549 Remote Similarity NPD3516 Approved
0.6549 Remote Similarity NPD3515 Approved
0.6545 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6544 Remote Similarity NPD8053 Approved
0.6544 Remote Similarity NPD8054 Approved
0.6543 Remote Similarity NPD6963 Approved
0.6543 Remote Similarity NPD6964 Approved
0.654 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6535 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6533 Remote Similarity NPD6612 Phase 2
0.653 Remote Similarity NPD3349 Phase 2
0.6529 Remote Similarity NPD7797 Approved
0.6529 Remote Similarity NPD7796 Approved

Structure

External Identifiers

PubChem CID   264628
ChEMBL   CHEMBL2004313
ZINC  

Physicochemical Properties

Molecular Weight:  410.18
ALogP:  -1.2776
MLogP:  3.22
XLogP:  0.054
# Rotatable Bonds:  5
Polar Surface Area:  71.47
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  7
# Heavy Atoms:  30

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