Natural Product: NPC322529

Natural Product ID:  NPC322529
Common Name:   Gigantrionenin
IUPAC Name:   (2S)-2-methyl-4-[7-[(2R,5S)-5-[(Z,1S,4R,5R)-1,4,5-trihydroxyhenicos-8-enyl]oxolan-2-yl]heptyl]-2H-furan-5-one
Synonyms:   Gigantrionenin
Molecular Formula:   C37H66O6
Standard InCHIKey:  HASWAOYLTAODRS-VKJZEEHVSA-N
Standard InCHI:  InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24-33(38)34(39)26-27-35(40)36-28-25-32(43-36)23-20-17-15-16-19-22-31-29-30(2)42-37(31)41/h14,18,29-30,32-36,38-40H,3-13,15-17,19-28H2,1-2H3/b18-14-/t30-,32+,33+,34+,35-,36-/m0/s1
Canonical SMILES:  CCCCCCCCCCCC/C=CCC[C@H]([C@@H](CC[C@@H]([C@@H]1CC[C@H](O1)CCCCCCCC1=C[C@@H](OC1=O)C)O)O)O
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
NPO7202 Goniothalamus giganteus Species Annonaceae Eukaryota bark PMID[1479382]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT140 Organism Artemia Artemia LC50 = 13.9 ug/ml 1479382
NPT81 Cell Line A549 Homo sapiens ED50 = 3.94 ug/ml 1479382
NPT83 Cell Line MCF7 Homo sapiens ED50 = 8.06 ug/ml 1479382
NPT139 Cell Line HT-29 Homo sapiens ED50 = 2.92 ug/ml 1479382
NPT367 Cell Line MDA-N Homo sapiens GI50 3908.41 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 5046.61 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 1174.9 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 109.65 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 1706.08 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 2466.04 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 3655.95 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 2172.7 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 1264.74 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 13708.82 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 5559.04 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 1145.51 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 1986.09 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 2167.7 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 1244.51 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 4102.04 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 3076.1 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 2642.41 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 18535.32 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 1832.31 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 7177.94 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 2172.7 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 1406.05 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 3349.65 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 3917.42 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 7447.32 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 13867.56 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 15240.53 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 2654.61 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 10839.27 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 1306.17 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 8.185 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 2238.72 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 17298.16 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 1725.84 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 7655.97 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 1870.68 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 3854.78 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 2971.67 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 4415.7 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 2754.23 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 2275.1 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 3427.68 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 2910.72 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 1348.96 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 15848.93 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 1931.97 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 883.08 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 3176.87 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 6208.69 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 3026.91 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 54.58 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 1438.8 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 2306.75 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 1482.52 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 2944.42 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 19364.22 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 2978.52 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 NPC322529 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
0.9873 High Similarity NPC156804
0.975 High Similarity NPC329615
0.975 High Similarity NPC471567
0.975 High Similarity NPC329838
0.975 High Similarity NPC120398
0.9747 High Similarity NPC253801
0.963 High Similarity NPC107717
0.963 High Similarity NPC232555
0.963 High Similarity NPC171174
0.963 High Similarity NPC241360
0.963 High Similarity NPC475581
0.963 High Similarity NPC231096
0.963 High Similarity NPC279267
0.963 High Similarity NPC293136
0.963 High Similarity NPC309211
0.963 High Similarity NPC114694
0.963 High Similarity NPC142117
0.963 High Similarity NPC69082
0.963 High Similarity NPC62118
0.963 High Similarity NPC132940
0.963 High Similarity NPC240695
0.9625 High Similarity NPC163093
0.962 High Similarity NPC131002
0.962 High Similarity NPC329829
0.962 High Similarity NPC11332
0.962 High Similarity NPC65930
0.962 High Similarity NPC473712
0.962 High Similarity NPC73310
0.962 High Similarity NPC145914
0.962 High Similarity NPC473780
0.962 High Similarity NPC180363
0.962 High Similarity NPC475159
0.962 High Similarity NPC94875
0.962 High Similarity NPC473529
0.9512 High Similarity NPC258068
0.9512 High Similarity NPC20533
0.9512 High Similarity NPC476583
0.9506 High Similarity NPC473478
0.9506 High Similarity NPC473651
0.9506 High Similarity NPC292809
0.9506 High Similarity NPC283085
0.9506 High Similarity NPC103284
0.9506 High Similarity NPC39167
0.9506 High Similarity NPC475268
0.9506 High Similarity NPC202055
0.9506 High Similarity NPC473669
0.9506 High Similarity NPC231009
0.9506 High Similarity NPC477018
0.9506 High Similarity NPC100921
0.9506 High Similarity NPC286338
0.9506 High Similarity NPC39279
0.9506 High Similarity NPC110710
0.9506 High Similarity NPC66346
0.9506 High Similarity NPC132496
0.9506 High Similarity NPC235809
0.9506 High Similarity NPC107986
0.9506 High Similarity NPC319036
0.9506 High Similarity NPC25764
0.9506 High Similarity NPC473156
0.9506 High Similarity NPC77871
0.9506 High Similarity NPC9678
0.9506 High Similarity NPC223871
0.9506 High Similarity NPC470400
0.9506 High Similarity NPC82795
0.9506 High Similarity NPC473671
0.9506 High Similarity NPC1083
0.9506 High Similarity NPC477013
0.9506 High Similarity NPC477014
0.95 High Similarity NPC144415
0.9398 High Similarity NPC280621
0.9398 High Similarity NPC20339
0.9398 High Similarity NPC287164
0.9398 High Similarity NPC473905
0.9398 High Similarity NPC133730
0.9398 High Similarity NPC61257
0.9398 High Similarity NPC40376
0.9398 High Similarity NPC169511
0.9398 High Similarity NPC172821
0.9398 High Similarity NPC151403
0.9398 High Similarity NPC171135
0.9398 High Similarity NPC233551
0.9398 High Similarity NPC242364
0.9398 High Similarity NPC39754
0.9398 High Similarity NPC320569
0.9398 High Similarity NPC21208
0.9398 High Similarity NPC81045
0.9398 High Similarity NPC191929
0.9398 High Similarity NPC274446
0.9398 High Similarity NPC320458
0.9398 High Similarity NPC48338
0.9398 High Similarity NPC89001
0.9398 High Similarity NPC261952
0.9398 High Similarity NPC100454
0.9398 High Similarity NPC234077
0.939 High Similarity NPC219652
0.939 High Similarity NPC210218
0.939 High Similarity NPC477010
0.939 High Similarity NPC477015
0.939 High Similarity NPC103523
0.939 High Similarity NPC25703
0.939 High Similarity NPC134885
0.939 High Similarity NPC308412
0.939 High Similarity NPC473687
0.939 High Similarity NPC204686
0.939 High Similarity NPC134865
0.939 High Similarity NPC219498
0.939 High Similarity NPC134807
0.939 High Similarity NPC473840
0.939 High Similarity NPC282815
0.9286 High Similarity NPC477011
0.9286 High Similarity NPC477017
0.9286 High Similarity NPC473504
0.9286 High Similarity NPC42598
0.9286 High Similarity NPC93794
0.9286 High Similarity NPC477016
0.9286 High Similarity NPC40066
0.9286 High Similarity NPC318963
0.9286 High Similarity NPC91067
0.9286 High Similarity NPC81778
0.9286 High Similarity NPC20621
0.9277 High Similarity NPC473995
0.9277 High Similarity NPC470401
0.9277 High Similarity NPC178215
0.9277 High Similarity NPC154097
0.9277 High Similarity NPC159750
0.9277 High Similarity NPC473649
0.9176 High Similarity NPC239517
0.9176 High Similarity NPC473904
0.9157 High Similarity NPC47937
0.9157 High Similarity NPC112685
0.9059 High Similarity NPC14901
0.9059 High Similarity NPC130359
0.9059 High Similarity NPC280612
0.9059 High Similarity NPC139418
0.9048 High Similarity NPC477012
0.9036 High Similarity NPC182383
0.8966 High Similarity NPC473723
0.8966 High Similarity NPC473663
0.8966 High Similarity NPC475173
0.8966 High Similarity NPC473561
0.8966 High Similarity NPC473520
0.8851 High Similarity NPC473707
0.875 High Similarity NPC11456
0.8315 Intermediate Similarity NPC473448
0.8293 Intermediate Similarity NPC475711
0.825 Intermediate Similarity NPC474705
0.8222 Intermediate Similarity NPC30515
0.8132 Intermediate Similarity NPC179746
0.8132 Intermediate Similarity NPC81419
0.8125 Intermediate Similarity NPC84038
0.8111 Intermediate Similarity NPC474761
0.8111 Intermediate Similarity NPC476004
0.8111 Intermediate Similarity NPC473619
0.8111 Intermediate Similarity NPC51004
0.8095 Intermediate Similarity NPC470149
0.8095 Intermediate Similarity NPC470148
0.8022 Intermediate Similarity NPC12172
0.8022 Intermediate Similarity NPC208886
0.8022 Intermediate Similarity NPC473321
0.8022 Intermediate Similarity NPC184463
0.8 Intermediate Similarity NPC295312
0.8 Intermediate Similarity NPC470147
0.8 Intermediate Similarity NPC307411
0.8 Intermediate Similarity NPC133226
0.7978 Intermediate Similarity NPC160138
0.7976 Intermediate Similarity NPC248775
0.7975 Intermediate Similarity NPC218477
0.7957 Intermediate Similarity NPC36954
0.7955 Intermediate Similarity NPC21469
0.7935 Intermediate Similarity NPC475912
0.7935 Intermediate Similarity NPC295204
0.7935 Intermediate Similarity NPC273579
0.7935 Intermediate Similarity NPC288240
0.7935 Intermediate Similarity NPC476300
0.7935 Intermediate Similarity NPC162205
0.7895 Intermediate Similarity NPC187268
0.7895 Intermediate Similarity NPC161855
0.7895 Intermediate Similarity NPC473326
0.7889 Intermediate Similarity NPC202672
0.7882 Intermediate Similarity NPC180725
0.7872 Intermediate Similarity NPC473291
0.7865 Intermediate Similarity NPC469483
0.7865 Intermediate Similarity NPC164393
0.7857 Intermediate Similarity NPC474026
0.7849 Intermediate Similarity NPC81386
0.7849 Intermediate Similarity NPC474035
0.7841 Intermediate Similarity NPC288471
0.7841 Intermediate Similarity NPC474251
0.7802 Intermediate Similarity NPC133450
0.7802 Intermediate Similarity NPC474032
0.7791 Intermediate Similarity NPC47653
0.7778 Intermediate Similarity NPC248602
0.7766 Intermediate Similarity NPC304886
0.7766 Intermediate Similarity NPC14961
0.7766 Intermediate Similarity NPC270013
0.7755 Intermediate Similarity NPC110989
0.7753 Intermediate Similarity NPC215364
0.7753 Intermediate Similarity NPC137033
0.775 Intermediate Similarity NPC141481
0.775 Intermediate Similarity NPC324981

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC322529 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
0.7912 Intermediate Similarity NPD46 Approved
0.7912 Intermediate Similarity NPD6698 Approved
0.7717 Intermediate Similarity NPD7838 Discovery
0.7525 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD7983 Approved
0.7282 Intermediate Similarity NPD6686 Approved
0.7172 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD3197 Phase 1
0.7021 Intermediate Similarity NPD4251 Approved
0.7021 Intermediate Similarity NPD4250 Approved
0.6981 Remote Similarity NPD6371 Approved
0.6916 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6915 Remote Similarity NPD4249 Approved
0.6869 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6809 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6804 Remote Similarity NPD5785 Approved
0.6774 Remote Similarity NPD7154 Phase 3
0.6774 Remote Similarity NPD5362 Discontinued
0.6699 Remote Similarity NPD5344 Discontinued
0.6632 Remote Similarity NPD5363 Approved
0.6632 Remote Similarity NPD6082 Clinical (unspecified phase)
0.663 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6588 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6531 Remote Similarity NPD1695 Approved
0.6505 Remote Similarity NPD7638 Approved
0.6505 Remote Similarity NPD4225 Approved
0.6489 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6489 Remote Similarity NPD6435 Approved
0.6484 Remote Similarity NPD4756 Discovery
0.6463 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6444 Remote Similarity NPD8039 Approved
0.6442 Remote Similarity NPD7640 Approved
0.6442 Remote Similarity NPD7639 Approved
0.6422 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6413 Remote Similarity NPD4271 Approved
0.6413 Remote Similarity NPD4268 Approved
0.6413 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6396 Remote Similarity NPD6053 Discontinued
0.6379 Remote Similarity NPD8516 Approved
0.6379 Remote Similarity NPD8513 Phase 3
0.6379 Remote Similarity NPD8517 Approved
0.6379 Remote Similarity NPD8515 Approved
0.6337 Remote Similarity NPD5779 Approved
0.6337 Remote Similarity NPD5778 Approved
0.6329 Remote Similarity NPD3194 Approved
0.6329 Remote Similarity NPD3195 Phase 2
0.6329 Remote Similarity NPD3196 Approved
0.6329 Remote Similarity NPD4266 Approved
0.6316 Remote Similarity NPD4270 Approved
0.6316 Remote Similarity NPD5209 Approved
0.6316 Remote Similarity NPD4269 Approved
0.6311 Remote Similarity NPD7839 Suspended
0.6303 Remote Similarity NPD7507 Approved
0.6289 Remote Similarity NPD1694 Approved
0.6286 Remote Similarity NPD6648 Approved
0.6277 Remote Similarity NPD4819 Approved
0.6277 Remote Similarity NPD4252 Approved
0.6277 Remote Similarity NPD4821 Approved
0.6277 Remote Similarity NPD4822 Approved
0.6277 Remote Similarity NPD4820 Approved
0.6277 Remote Similarity NPD5368 Approved
0.6275 Remote Similarity NPD5282 Discontinued
0.6271 Remote Similarity NPD7829 Approved
0.6271 Remote Similarity NPD7830 Approved
0.625 Remote Similarity NPD6110 Phase 1
0.625 Remote Similarity NPD5332 Approved
0.625 Remote Similarity NPD5331 Approved
0.6224 Remote Similarity NPD5786 Approved
0.622 Remote Similarity NPD6109 Phase 1
0.6211 Remote Similarity NPD5369 Approved
0.6211 Remote Similarity NPD4790 Discontinued
0.6203 Remote Similarity NPD3172 Approved
0.6186 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6174 Remote Similarity NPD7115 Discovery
0.6163 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6148 Remote Similarity NPD7319 Approved
0.6125 Remote Similarity NPD3728 Approved
0.6125 Remote Similarity NPD3730 Approved
0.6116 Remote Similarity NPD8074 Phase 3
0.6091 Remote Similarity NPD6412 Phase 2
0.6071 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6063 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6053 Remote Similarity NPD4632 Approved
0.6017 Remote Similarity NPD8294 Approved
0.6017 Remote Similarity NPD8377 Approved
0.6 Remote Similarity NPD7642 Approved
0.5983 Remote Similarity NPD7641 Discontinued
0.5983 Remote Similarity NPD7328 Approved
0.5983 Remote Similarity NPD7327 Approved
0.5966 Remote Similarity NPD8296 Approved
0.5966 Remote Similarity NPD8335 Approved
0.5966 Remote Similarity NPD8380 Approved
0.5966 Remote Similarity NPD8444 Approved
0.5966 Remote Similarity NPD8379 Approved
0.5966 Remote Similarity NPD8378 Approved
0.5966 Remote Similarity NPD8033 Approved
0.5965 Remote Similarity NPD8297 Approved
0.595 Remote Similarity NPD7492 Approved
0.5949 Remote Similarity NPD28 Approved
0.5949 Remote Similarity NPD6927 Phase 3
0.5949 Remote Similarity NPD29 Approved
0.5935 Remote Similarity NPD7736 Approved
0.5932 Remote Similarity NPD7516 Approved
0.593 Remote Similarity NPD2664 Clinical (unspecified phase)
0.5929 Remote Similarity NPD6421 Discontinued
0.5922 Remote Similarity NPD7637 Suspended
0.5909 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5909 Remote Similarity NPD3704 Approved
0.5902 Remote Similarity NPD6616 Approved
0.5902 Remote Similarity NPD8273 Phase 1
0.5897 Remote Similarity NPD7500 Approved
0.5882 Remote Similarity NPD5370 Suspended
0.5882 Remote Similarity NPD6101 Approved
0.5882 Remote Similarity NPD6319 Approved
0.5882 Remote Similarity NPD6054 Approved
0.5882 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5877 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5872 Remote Similarity NPD7632 Discontinued
0.5854 Remote Similarity NPD7078 Approved
0.5849 Remote Similarity NPD4792 Clinical (unspecified phase)
0.5833 Remote Similarity NPD7503 Approved
0.5833 Remote Similarity NPD69 Approved
0.5833 Remote Similarity NPD9119 Approved
0.5818 Remote Similarity NPD6647 Phase 2
0.581 Remote Similarity NPD7748 Approved
0.5804 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5794 Remote Similarity NPD7260 Phase 2
0.5794 Remote Similarity NPD7902 Approved
0.5789 Remote Similarity NPD2067 Discontinued
0.5785 Remote Similarity NPD6370 Approved
0.5776 Remote Similarity NPD8133 Approved
0.5772 Remote Similarity NPD8451 Approved
0.5769 Remote Similarity NPD4810 Clinical (unspecified phase)
0.5769 Remote Similarity NPD6411 Approved
0.5763 Remote Similarity NPD6009 Approved
0.5763 Remote Similarity NPD7505 Discontinued
0.5752 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5752 Remote Similarity NPD6899 Approved
0.5752 Remote Similarity NPD6881 Approved
0.5739 Remote Similarity NPD8130 Phase 1
0.5739 Remote Similarity NPD2204 Approved
0.5738 Remote Similarity NPD7604 Phase 2
0.573 Remote Similarity NPD7331 Phase 2
0.5726 Remote Similarity NPD8448 Approved
0.5726 Remote Similarity NPD8293 Discontinued
0.5714 Remote Similarity NPD6399 Phase 3
0.5714 Remote Similarity NPD9118 Approved
0.5702 Remote Similarity NPD5983 Phase 2
0.5702 Remote Similarity NPD6016 Approved
0.5702 Remote Similarity NPD6015 Approved
0.5696 Remote Similarity NPD3173 Approved
0.5673 Remote Similarity NPD8522 Clinical (unspecified phase)
0.5664 Remote Similarity NPD5697 Approved
0.5656 Remote Similarity NPD5988 Approved
0.5652 Remote Similarity NPD6883 Approved
0.5652 Remote Similarity NPD7290 Approved
0.5652 Remote Similarity NPD7102 Approved
0.5648 Remote Similarity NPD6083 Phase 2
0.5648 Remote Similarity NPD6084 Phase 2
0.5645 Remote Similarity NPD6336 Discontinued
0.5631 Remote Similarity NPD6903 Approved
0.5625 Remote Similarity NPD6845 Suspended
0.562 Remote Similarity NPD6059 Approved
0.5619 Remote Similarity NPD7515 Phase 2
0.5614 Remote Similarity NPD7320 Approved
0.5614 Remote Similarity NPD6011 Approved
0.5612 Remote Similarity NPD8259 Clinical (unspecified phase)
0.561 Remote Similarity NPD8328 Phase 3
0.5603 Remote Similarity NPD6649 Approved
0.5603 Remote Similarity NPD6650 Approved
0.5603 Remote Similarity NPD6617 Approved
0.5603 Remote Similarity NPD6869 Approved
0.5603 Remote Similarity NPD6847 Approved

Structure

External Identifiers

PubChem CID   5470005
ChEMBL   CHEMBL501337
ZINC  

Physicochemical Properties

Molecular Weight:  606.49
ALogP:  -6.5603
MLogP:  4.87
XLogP:  11.158
# Rotatable Bonds:  32
Polar Surface Area:  96.22
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  43

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Similar NPs/Drugs