Natural Product: NPC96405

Natural Product ID:  NPC96405
Common Name:   Coptisine Chloride
IUPAC Name:  
Synonyms:   Coptisine; Coptisine Chloride
Molecular Formula:   C19H14NO4.ClH
Standard InCHIKey:  LUXPUVKJHVUJAV-UHFFFAOYSA-M
Standard InCHI:  InChI=1S/C19H14NO4.ClH/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14;/h1-2,5-8H,3-4,9-10H2;1H/q+1;/p-1
Canonical SMILES:  C1Oc2c(O1)cc1c(c2)CC[n+]2c1cc1ccc3c(c1c2)OCO3.[Cl-]
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
NPO25345 Corydalis ternata Species Papaveraceae Eukaryota tubers PMID[20594848]
NPO5649 Coptis chinensis Species Ranunculaceae Eukaryota TM-MC*
NPO22622 Coptis deltoidea Species Ranunculaceae Eukaryota TM-MC*
NPO13757 Coptis japonica Species Ranunculaceae Eukaryota TM-MC*
NPO29008 Coptis teeta Species Ranunculaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 < 150 ug/ml 1710653
NPT81 Cell Line A549 Homo sapiens IC50 = 23960 nM 20594848
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 > 30000 nM 20594848
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 > 30000 nM 20594848
NPT148 Cell Line HCT-15 Homo sapiens IC50 = 29070 nM 20594848
NPT2 Others Unspecified GI50 = 3300 nM 21401114
NPT2 Others Unspecified GI50 = 3350 nM 21401114
NPT2657 Cell Line A10 Rattus norvegicus GI50 = 4490 nM 21401114
NPT2 Others Unspecified GI50 = 104940 nM 21401114
NPT2 Others Unspecified GI50 = 11760 nM 21401114
NPT2 Others Unspecified GI50 = 33020 nM 21401114
NPT2470 Cell Line G-402 Homo sapiens GI50 = 19100 nM 21401114
NPT2657 Cell Line A10 Rattus norvegicus FC = 3.5 21401114
NPT2657 Cell Line A10 Rattus norvegicus FC = 8 21401114
NPT2 Others Unspecified FC = 1.5 21401114
NPT367 Cell Line MDA-N Homo sapiens GI50 299.23 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 2089.3 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 2500.35 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 814.7 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 857.04 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 5571.86 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 406.44 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 1300.17 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 887.16 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 587.49 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 259.42 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 486.41 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 4731.51 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 797.99 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 1288.25 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 1396.37 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 935.41 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 347.54 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 1158.78 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 1129.8 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 1224.62 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 486.41 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 462.38 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 311.17 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 924.7 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 1004.62 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 1503.14 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 711.21 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 1011.58 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 5093.31 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 5847.9 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 554.63 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 4436.09 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 1276.44 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 3845.92 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 638.26 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 446.68 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 2360.48 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 1238.8 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 7709.03 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 3296.1 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 944.06 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 3126.08 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 529.66 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 891.25 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 308.32 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 926.83 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 2041.74 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 1380.38 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 1954.34 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 4197.59 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 763.84 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 1923.09 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 5649.37 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 1199.5 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 1986.09 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 3556.31 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 14050 nM 25203783
NPT2 Others Unspecified GI = 12.24 % 25203783
NPT81 Cell Line A549 Homo sapiens IC50 > 14050 nM 25203783
NPT81 Cell Line A549 Homo sapiens GI = 49.91 % 25203783
NPT2 Others Unspecified IC50 = 5590 nM 25203783
NPT2 Others Unspecified GI = 62.06 % 25203783
NPT2 Others Unspecified GI = -10.71 % 25203783

  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 NPC96405 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 NPC171409
0.9789 High Similarity NPC296482
0.9789 High Similarity NPC202768
0.9789 High Similarity NPC53069
0.9734 High Similarity NPC135549
0.9526 High Similarity NPC313189
0.9421 High Similarity NPC36229
0.9421 High Similarity NPC16452
0.9421 High Similarity NPC476581
0.9312 High Similarity NPC477019
0.9263 High Similarity NPC31930
0.9211 High Similarity NPC234197
0.9196 High Similarity NPC46451
0.9158 High Similarity NPC476582
0.9158 High Similarity NPC4071
0.9158 High Similarity NPC476578
0.9086 High Similarity NPC112206
0.9086 High Similarity NPC202605
0.905 High Similarity NPC100079
0.905 High Similarity NPC23614
0.8995 High Similarity NPC235076
0.8894 High Similarity NPC251160
0.885 High Similarity NPC149471
0.885 High Similarity NPC271215
0.8842 High Similarity NPC195268
0.8842 High Similarity NPC133140
0.8794 High Similarity NPC188420
0.8689 High Similarity NPC118121
0.8607 High Similarity NPC290689
0.8495 Intermediate Similarity NPC204446
0.8385 Intermediate Similarity NPC204385
0.8372 Intermediate Similarity NPC253675
0.8368 Intermediate Similarity NPC206201
0.8271 Intermediate Similarity NPC278525
0.8241 Intermediate Similarity NPC22481
0.8238 Intermediate Similarity NPC174049
0.823 Intermediate Similarity NPC473822
0.8165 Intermediate Similarity NPC108342
0.8148 Intermediate Similarity NPC201508
0.8128 Intermediate Similarity NPC189903
0.8128 Intermediate Similarity NPC182907
0.8109 Intermediate Similarity NPC287437
0.8091 Intermediate Similarity NPC166722
0.8038 Intermediate Similarity NPC236668
0.8018 Intermediate Similarity NPC210296
0.8 Intermediate Similarity NPC146976
0.7991 Intermediate Similarity NPC122463
0.7991 Intermediate Similarity NPC255800
0.7991 Intermediate Similarity NPC96584
0.7961 Intermediate Similarity NPC470164
0.7961 Intermediate Similarity NPC323345
0.7925 Intermediate Similarity NPC473513
0.7919 Intermediate Similarity NPC295228
0.7917 Intermediate Similarity NPC312872
0.7911 Intermediate Similarity NPC124313
0.7907 Intermediate Similarity NPC210434
0.7902 Intermediate Similarity NPC84164
0.7902 Intermediate Similarity NPC207283
0.7867 Intermediate Similarity NPC162530
0.7867 Intermediate Similarity NPC266931
0.7826 Intermediate Similarity NPC285558
0.781 Intermediate Similarity NPC123976
0.781 Intermediate Similarity NPC167860
0.7804 Intermediate Similarity NPC173080
0.7798 Intermediate Similarity NPC214980
0.7773 Intermediate Similarity NPC24019
0.7767 Intermediate Similarity NPC148409
0.7745 Intermediate Similarity NPC224928
0.7742 Intermediate Similarity NPC280272
0.7739 Intermediate Similarity NPC183537
0.7738 Intermediate Similarity NPC476999
0.7727 Intermediate Similarity NPC476997
0.7725 Intermediate Similarity NPC470020
0.7696 Intermediate Similarity NPC24954
0.7692 Intermediate Similarity NPC475774
0.7692 Intermediate Similarity NPC476996
0.7692 Intermediate Similarity NPC476998
0.7685 Intermediate Similarity NPC213530
0.7685 Intermediate Similarity NPC193267
0.7678 Intermediate Similarity NPC174758
0.7678 Intermediate Similarity NPC174672
0.7678 Intermediate Similarity NPC469589
0.7662 Intermediate Similarity NPC77878
0.7653 Intermediate Similarity NPC316981
0.7647 Intermediate Similarity NPC476994
0.7638 Intermediate Similarity NPC179704
0.763 Intermediate Similarity NPC82548
0.7628 Intermediate Similarity NPC170114
0.7626 Intermediate Similarity NPC322482
0.7623 Intermediate Similarity NPC233334
0.7621 Intermediate Similarity NPC99891
0.7606 Intermediate Similarity NPC208284
0.76 Intermediate Similarity NPC249405
0.7596 Intermediate Similarity NPC232727
0.7583 Intermediate Similarity NPC474595
0.7581 Intermediate Similarity NPC470549
0.7579 Intermediate Similarity NPC234392
0.7579 Intermediate Similarity NPC31311
0.7576 Intermediate Similarity NPC270515
0.7556 Intermediate Similarity NPC90875
0.755 Intermediate Similarity NPC284559
0.7549 Intermediate Similarity NPC280964
0.7549 Intermediate Similarity NPC141915
0.7549 Intermediate Similarity NPC114335
0.7548 Intermediate Similarity NPC11017
0.7548 Intermediate Similarity NPC176538
0.7544 Intermediate Similarity NPC119134
0.7544 Intermediate Similarity NPC217554
0.7536 Intermediate Similarity NPC472111
0.7535 Intermediate Similarity NPC474594
0.7534 Intermediate Similarity NPC469792
0.7522 Intermediate Similarity NPC284141
0.7512 Intermediate Similarity NPC302001
0.7512 Intermediate Similarity NPC329541
0.75 Intermediate Similarity NPC92111
0.7489 Intermediate Similarity NPC476995
0.7489 Intermediate Similarity NPC314954
0.7489 Intermediate Similarity NPC473183
0.7489 Intermediate Similarity NPC246381
0.7488 Intermediate Similarity NPC274291
0.7488 Intermediate Similarity NPC264166
0.7488 Intermediate Similarity NPC472098
0.7488 Intermediate Similarity NPC329708
0.7488 Intermediate Similarity NPC118832
0.7488 Intermediate Similarity NPC47059
0.7488 Intermediate Similarity NPC296527
0.7488 Intermediate Similarity NPC165349
0.7487 Intermediate Similarity NPC287588
0.7476 Intermediate Similarity NPC135887
0.7476 Intermediate Similarity NPC199277
0.7467 Intermediate Similarity NPC469554
0.7465 Intermediate Similarity NPC470931
0.7465 Intermediate Similarity NPC274982
0.7456 Intermediate Similarity NPC11408
0.7451 Intermediate Similarity NPC312531
0.7451 Intermediate Similarity NPC76748
0.744 Intermediate Similarity NPC13880
0.744 Intermediate Similarity NPC162653
0.744 Intermediate Similarity NPC251090
0.7435 Intermediate Similarity NPC216459
0.7435 Intermediate Similarity NPC41178
0.7435 Intermediate Similarity NPC26850
0.7435 Intermediate Similarity NPC138487
0.7427 Intermediate Similarity NPC307963
0.7409 Intermediate Similarity NPC177404
0.7404 Intermediate Similarity NPC267928
0.7403 Intermediate Similarity NPC15406
0.7401 Intermediate Similarity NPC473184
0.7396 Intermediate Similarity NPC146288
0.7395 Intermediate Similarity NPC11464
0.7391 Intermediate Similarity NPC131017
0.7389 Intermediate Similarity NPC101543
0.7373 Intermediate Similarity NPC471080
0.7373 Intermediate Similarity NPC469592
0.7344 Intermediate Similarity NPC93593
0.7342 Intermediate Similarity NPC303374
0.733 Intermediate Similarity NPC233029
0.733 Intermediate Similarity NPC210148
0.733 Intermediate Similarity NPC477533
0.7327 Intermediate Similarity NPC264176
0.7318 Intermediate Similarity NPC469594
0.7302 Intermediate Similarity NPC287208
0.7299 Intermediate Similarity NPC329793
0.7299 Intermediate Similarity NPC329747
0.7299 Intermediate Similarity NPC315957
0.7297 Intermediate Similarity NPC310118
0.7296 Intermediate Similarity NPC472434
0.729 Intermediate Similarity NPC475841
0.729 Intermediate Similarity NPC304183
0.729 Intermediate Similarity NPC474145
0.7289 Intermediate Similarity NPC110151
0.7289 Intermediate Similarity NPC473185
0.7286 Intermediate Similarity NPC127085
0.7285 Intermediate Similarity NPC17565
0.7282 Intermediate Similarity NPC474904
0.7277 Intermediate Similarity NPC469440
0.7277 Intermediate Similarity NPC476138
0.7277 Intermediate Similarity NPC245816
0.7277 Intermediate Similarity NPC162484
0.7269 Intermediate Similarity NPC201697
0.7269 Intermediate Similarity NPC185782
0.7264 Intermediate Similarity NPC295676
0.7256 Intermediate Similarity NPC193777
0.7248 Intermediate Similarity NPC26679
0.7248 Intermediate Similarity NPC94157
0.7246 Intermediate Similarity NPC469390
0.7246 Intermediate Similarity NPC134637
0.7245 Intermediate Similarity NPC471178
0.7244 Intermediate Similarity NPC200888
0.7244 Intermediate Similarity NPC470018
0.7243 Intermediate Similarity NPC137929
0.7243 Intermediate Similarity NPC164374
0.723 Intermediate Similarity NPC295898
0.7222 Intermediate Similarity NPC476518
0.7222 Intermediate Similarity NPC475910
0.722 Intermediate Similarity NPC60621
0.7217 Intermediate Similarity NPC19872
0.7214 Intermediate Similarity NPC285941
0.7212 Intermediate Similarity NPC74575
0.7212 Intermediate Similarity NPC99666

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC96405 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
0.9789 High Similarity NPD3816 Phase 1
0.9789 High Similarity NPD3815 Phase 1
0.9196 High Similarity NPD3763 Approved
0.8842 High Similarity NPD3923 Approved
0.8842 High Similarity NPD3921 Approved
0.8842 High Similarity NPD3922 Approved
0.8842 High Similarity NPD3924 Approved
0.8263 Intermediate Similarity NPD3920 Phase 2
0.7971 Intermediate Similarity NPD5658 Approved
0.797 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.7945 Intermediate Similarity NPD4885 Approved
0.7911 Intermediate Similarity NPD6230 Discontinued
0.7904 Intermediate Similarity NPD4926 Clinical (unspecified phase)
0.79 Intermediate Similarity NPD6569 Phase 2
0.7828 Intermediate Similarity NPD6494 Phase 2
0.782 Intermediate Similarity NPD7069 Discontinued
0.7783 Intermediate Similarity NPD7571 Clinical (unspecified phase)
0.7734 Intermediate Similarity NPD4418 Discontinued
0.7731 Intermediate Similarity NPD5070 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD5863 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD4889 Approved
0.7644 Intermediate Similarity NPD6477 Clinical (unspecified phase)
0.7641 Intermediate Similarity NPD1923 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD2060 Approved
0.7611 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7583 Intermediate Similarity NPD7222 Phase 2
0.7561 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7557 Intermediate Similarity NPD7674 Phase 3
0.7557 Intermediate Similarity NPD7676 Clinical (unspecified phase)
0.7557 Intermediate Similarity NPD7675 Phase 3
0.7548 Intermediate Similarity NPD6219 Discontinued
0.7548 Intermediate Similarity NPD4396 Clinical (unspecified phase)
0.7488 Intermediate Similarity NPD4039 Approved
0.7488 Intermediate Similarity NPD4033 Approved
0.7488 Intermediate Similarity NPD4035 Approved
0.7488 Intermediate Similarity NPD4122 Approved
0.7488 Intermediate Similarity NPD4037 Approved
0.7488 Intermediate Similarity NPD4795 Phase 2
0.7488 Intermediate Similarity NPD4038 Approved
0.7488 Intermediate Similarity NPD32 Approved
0.7488 Intermediate Similarity NPD4034 Approved
0.7488 Intermediate Similarity NPD31 Approved
0.7488 Intermediate Similarity NPD4036 Approved
0.7478 Intermediate Similarity NPD6963 Approved
0.7478 Intermediate Similarity NPD6964 Approved
0.7465 Intermediate Similarity NPD5612 Discontinued
0.7453 Intermediate Similarity NPD5530 Phase 1
0.744 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD3477 Phase 2
0.7434 Intermediate Similarity NPD7558 Phase 2
0.7427 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7427 Intermediate Similarity NPD1038 Approved
0.7426 Intermediate Similarity NPD7424 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD8091 Phase 3
0.7423 Intermediate Similarity NPD2782 Approved
0.7423 Intermediate Similarity NPD2780 Approved
0.7419 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7406 Intermediate Similarity NPD3397 Phase 2
0.7399 Intermediate Similarity NPD7426 Phase 1
0.7397 Intermediate Similarity NPD6568 Discontinued
0.7378 Intermediate Similarity NPD7567 Approved
0.7363 Intermediate Similarity NPD3386 Phase 2
0.7352 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD2781 Approved
0.7343 Intermediate Similarity NPD4551 Phase 2
0.734 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD5903 Approved
0.7339 Intermediate Similarity NPD5902 Approved
0.7336 Intermediate Similarity NPD7453 Approved
0.7336 Intermediate Similarity NPD7452 Approved
0.733 Intermediate Similarity NPD5930 Phase 3
0.7299 Intermediate Similarity NPD1739 Approved
0.7299 Intermediate Similarity NPD1740 Approved
0.729 Intermediate Similarity NPD5601 Phase 2
0.7284 Intermediate Similarity NPD4876 Phase 3
0.7284 Intermediate Similarity NPD4875 Phase 3
0.7282 Intermediate Similarity NPD6281 Approved
0.7277 Intermediate Similarity NPD7719 Discontinued
0.7268 Intermediate Similarity NPD1034 Phase 3
0.7268 Intermediate Similarity NPD1033 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD7859 Phase 2
0.7251 Intermediate Similarity NPD3825 Phase 3
0.7251 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD2334 Discontinued
0.7229 Intermediate Similarity NPD6727 Phase 2
0.7225 Intermediate Similarity NPD8052 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD2739 Clinical (unspecified phase)
0.722 Intermediate Similarity NPD4375 Approved
0.7214 Intermediate Similarity NPD1032 Phase 2
0.7212 Intermediate Similarity NPD6553 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD4372 Phase 1
0.721 Intermediate Similarity NPD6517 Phase 3
0.7208 Intermediate Similarity NPD7169 Suspended
0.7202 Intermediate Similarity NPD4131 Phase 3
0.72 Intermediate Similarity NPD5602 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD1954 Phase 1
0.7186 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD7555 Discontinued
0.7176 Intermediate Similarity NPD1392 Approved
0.7167 Intermediate Similarity NPD6790 Phase 1
0.7162 Intermediate Similarity NPD3354 Phase 2
0.7143 Intermediate Similarity NPD6503 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5147 Discontinued
0.7136 Intermediate Similarity NPD5944 Phase 1
0.7136 Intermediate Similarity NPD5945 Phase 1
0.713 Intermediate Similarity NPD3003 Approved
0.7129 Intermediate Similarity NPD5751 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD5066 Phase 2
0.7123 Intermediate Similarity NPD5067 Phase 2
0.7119 Intermediate Similarity NPD8100 Phase 3
0.7115 Intermediate Similarity NPD8063 Discontinued
0.7111 Intermediate Similarity NPD1856 Discontinued
0.7107 Intermediate Similarity NPD7956 Approved
0.7107 Intermediate Similarity NPD7955 Approved
0.7101 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD6243 Phase 3
0.7101 Intermediate Similarity NPD6244 Phase 3
0.7098 Intermediate Similarity NPD6242 Discontinued
0.7095 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7074 Intermediate Similarity NPD5801 Clinical (unspecified phase)
0.7074 Intermediate Similarity NPD4925 Approved
0.7068 Intermediate Similarity NPD4584 Approved
0.7067 Intermediate Similarity NPD6298 Discontinued
0.7062 Intermediate Similarity NPD3396 Approved
0.7062 Intermediate Similarity NPD3395 Approved
0.7054 Intermediate Similarity NPD7194 Discontinued
0.7054 Intermediate Similarity NPD6500 Approved
0.7054 Intermediate Similarity NPD6501 Approved
0.7053 Intermediate Similarity NPD4919 Phase 3
0.7053 Intermediate Similarity NPD4920 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD4921 Phase 3
0.7051 Intermediate Similarity NPD8016 Phase 3
0.7051 Intermediate Similarity NPD8017 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD4502 Phase 2
0.7043 Intermediate Similarity NPD4996 Approved
0.7043 Intermediate Similarity NPD4995 Approved
0.7034 Intermediate Similarity NPD7620 Phase 2
0.7031 Intermediate Similarity NPD5559 Phase 2
0.7029 Intermediate Similarity NPD8101 Phase 3
0.7026 Intermediate Similarity NPD2757 Phase 2
0.7024 Intermediate Similarity NPD4204 Approved
0.7024 Intermediate Similarity NPD4203 Approved
0.7022 Intermediate Similarity NPD8479 Phase 2
0.7014 Intermediate Similarity NPD802 Phase 2
0.701 Intermediate Similarity NPD1620 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD3837 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD3313 Phase 2
0.7009 Intermediate Similarity NPD8109 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD112 Approved
0.7005 Intermediate Similarity NPD9705 Discontinued
0.7 Intermediate Similarity NPD1900 Clinical (unspecified phase)
0.6995 Remote Similarity NPD7948 Phase 1
0.6991 Remote Similarity NPD6975 Discontinued
0.6988 Remote Similarity NPD5459 Phase 2
0.6986 Remote Similarity NPD5528 Clinical (unspecified phase)
0.6986 Remote Similarity NPD2187 Approved
0.6986 Remote Similarity NPD2189 Approved
0.6986 Remote Similarity NPD5529 Phase 1
0.6981 Remote Similarity NPD1602 Discontinued
0.6981 Remote Similarity NPD3324 Clinical (unspecified phase)
0.698 Remote Similarity NPD7862 Clinical (unspecified phase)
0.6978 Remote Similarity NPD5519 Discontinued
0.6971 Remote Similarity NPD2917 Approved
0.6965 Remote Similarity NPD4724 Clinical (unspecified phase)
0.6964 Remote Similarity NPD6216 Approved
0.6964 Remote Similarity NPD7803 Approved
0.6957 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6957 Remote Similarity NPD5083 Clinical (unspecified phase)
0.6948 Remote Similarity NPD2482 Clinical (unspecified phase)
0.6947 Remote Similarity NPD7678 Clinical (unspecified phase)
0.6943 Remote Similarity NPD7051 Phase 3
0.6943 Remote Similarity NPD7050 Clinical (unspecified phase)
0.6939 Remote Similarity NPD7708 Approved
0.6939 Remote Similarity NPD6228 Discontinued
0.6934 Remote Similarity NPD6361 Phase 2
0.693 Remote Similarity NPD3541 Clinical (unspecified phase)
0.693 Remote Similarity NPD4548 Discontinued
0.6927 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6926 Remote Similarity NPD8512 Phase 3
0.692 Remote Similarity NPD7112 Discontinued
0.6917 Remote Similarity NPD5007 Approved
0.6916 Remote Similarity NPD2952 Discontinued
0.6914 Remote Similarity NPD8442 Discontinued
0.6909 Remote Similarity NPD7671 Approved
0.6909 Remote Similarity NPD7672 Approved
0.6908 Remote Similarity NPD5522 Clinical (unspecified phase)
0.6907 Remote Similarity NPD5905 Phase 1
0.6907 Remote Similarity NPD7886 Phase 2
0.6907 Remote Similarity NPD7885 Phase 2
0.6905 Remote Similarity NPD4021 Phase 2
0.6903 Remote Similarity NPD3402 Phase 1
0.6895 Remote Similarity NPD8403 Phase 1
0.6894 Remote Similarity NPD5805 Approved
0.6893 Remote Similarity NPD2601 Approved
0.6893 Remote Similarity NPD2600 Approved
0.6893 Remote Similarity NPD2599 Approved
0.6881 Remote Similarity NPD6991 Approved

Structure

External Identifiers

PubChem CID   72321
ChEMBL   CHEMBL498722
ZINC  

Physicochemical Properties

Molecular Weight:  320.09
ALogP:  -1.7821
MLogP:  3
XLogP:  2.823
# Rotatable Bonds:  0
Polar Surface Area:  40.8
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  24

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Structure MOL file  
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Biological Activities  
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