Natural Product: NPC170203

Natural Product ID:  NPC170203
Common Name:   Furosin
IUPAC Name:  
Synonyms:   Furosin
Molecular Formula:   C27H22O19
Standard InCHIKey:  CXTMLIMZRPKULL-YXYYPBJFSA-N
Standard InCHI:  InChI=1S/C27H22O19/c28-5-12-19-18(35)21(25(42-12)45-22(36)6-1-9(29)16(33)10(30)2-6)44-23(37)7-3-11(31)17(34)20-14(7)15-8(24(38)43-19)4-13(32)26(39,40)27(15,41)46-20/h1-4,12,15,18-19,21,25,28-31,33-35,39-41H,5H2/t12-,15+,18+,19-,21-,25+,27?/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@H]2[C@H]([C@@H]1OC(=O)C1=CC(=O)C(C3([C@@H]1c1c(C(=O)O2)cc(c(c1O3)O)O)O)(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
NPO22608 Excoecaria agallocha Species Euphorbiaceae Eukaryota stems and twigs Beihai, Guangxi province, China 2008-JAN PMID[22196120]
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota HerDing*
NPO26880 Mallotus japonicus Species Euphorbiaceae Eukaryota PMID[11520216]
NPO29801 Mallotus philippinensis Species Salangidae Eukaryota PMID[11520216]
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota TM-MC*
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 = 70000 nM 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 50000 nM 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Therapeutic index = 1.4 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Inhibition = 33 % 10.1016/S0960-894X(00)80422-9
NPT459 Individual Protein Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 Inhibition = 38 % 10.1016/S0960-894X(00)80422-9
NPT326 Individual Protein Squalene monooxygenase Rattus norvegicus IC50 = 10000 nM 11520216
NPT672 Cell Line TE-671 Homo sapiens ED50 > 10 ug/ml 1431932
NPT180 Cell Line HCT-8 Homo sapiens ED50 > 10 ug/ml 1431932
NPT81 Cell Line A549 Homo sapiens ED50 > 10 ug/ml 1431932
NPT91 Cell Line KB Homo sapiens ED50 > 10 ug/ml 1431932
NPT2 Others Unspecified ED50 = 0.67 ug/ml 1431932
NPT2 Others Unspecified IC50 > 10 ug/ml 22196120
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 33573.76 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 57147.86 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 41591.06 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 28183.83 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 41975.9 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 42461.96 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 38106.58 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 33189.45 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
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
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 79067.86 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 32136.61 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
NPT455 Cell Line NCI-H522 Homo sapiens GI50 45394.16 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 26730.06 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 62230.03 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 72610.6 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 47973.34 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 79067.86 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 78886.01 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 36391.5 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 76383.58 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 74816.95 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 86496.79 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 64120.96 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 75683.29 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 39536.66 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 71614.34 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 17947.34 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 49090.79 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 99311.6 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 NPC170203 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
0.9422 High Similarity NPC475360
0.9353 High Similarity NPC473713
0.9314 High Similarity NPC201814
0.9231 High Similarity NPC72249
0.9172 High Similarity NPC138927
0.9128 High Similarity NPC297574
0.9128 High Similarity NPC233994
0.9128 High Similarity NPC268533
0.9128 High Similarity NPC154741
0.9128 High Similarity NPC296018
0.9128 High Similarity NPC211532
0.9123 High Similarity NPC4390
0.9118 High Similarity NPC235260
0.9118 High Similarity NPC149011
0.9118 High Similarity NPC155763
0.9118 High Similarity NPC212748
0.9118 High Similarity NPC204937
0.9118 High Similarity NPC20505
0.9112 High Similarity NPC48640
0.9112 High Similarity NPC149244
0.9112 High Similarity NPC116745
0.9112 High Similarity NPC45400
0.9107 High Similarity NPC475738
0.9107 High Similarity NPC165720
0.9086 High Similarity NPC231254
0.9075 High Similarity NPC37668
0.9075 High Similarity NPC267680
0.9075 High Similarity NPC113836
0.9075 High Similarity NPC253521
0.9075 High Similarity NPC293626
0.9075 High Similarity NPC217387
0.9075 High Similarity NPC476773
0.9075 High Similarity NPC196127
0.9075 High Similarity NPC258044
0.907 High Similarity NPC115760
0.907 High Similarity NPC171706
0.907 High Similarity NPC253685
0.907 High Similarity NPC237435
0.907 High Similarity NPC43211
0.907 High Similarity NPC477848
0.907 High Similarity NPC210094
0.907 High Similarity NPC101191
0.907 High Similarity NPC135277
0.907 High Similarity NPC49344
0.9064 High Similarity NPC175107
0.9064 High Similarity NPC153755
0.9064 High Similarity NPC235575
0.9064 High Similarity NPC190003
0.9059 High Similarity NPC229687
0.9056 High Similarity NPC3474
0.9053 High Similarity NPC21100
0.9053 High Similarity NPC197285
0.9053 High Similarity NPC254306
0.9048 High Similarity NPC88043
0.904 High Similarity NPC119094
0.904 High Similarity NPC41845
0.904 High Similarity NPC142291
0.904 High Similarity NPC173872
0.904 High Similarity NPC7839
0.9034 High Similarity NPC261623
0.9034 High Similarity NPC111490
0.9023 High Similarity NPC212290
0.9023 High Similarity NPC244903
0.9023 High Similarity NPC80956
0.9017 High Similarity NPC144097
0.9017 High Similarity NPC61904
0.9017 High Similarity NPC472384
0.9017 High Similarity NPC472380
0.9017 High Similarity NPC257714
0.9017 High Similarity NPC472382
0.9017 High Similarity NPC472385
0.9017 High Similarity NPC198324
0.9012 High Similarity NPC175230
0.9012 High Similarity NPC263119
0.9012 High Similarity NPC34436
0.9012 High Similarity NPC166674
0.9012 High Similarity NPC172033
0.9012 High Similarity NPC473550
0.9012 High Similarity NPC46640
0.9012 High Similarity NPC88560
0.9012 High Similarity NPC219600
0.9006 High Similarity NPC181778
0.9006 High Similarity NPC471416
0.9006 High Similarity NPC244776
0.9006 High Similarity NPC245014
0.9006 High Similarity NPC282987
0.9006 High Similarity NPC206123
0.9006 High Similarity NPC34287
0.9006 High Similarity NPC84265
0.9006 High Similarity NPC285197
0.9006 High Similarity NPC116864
0.9006 High Similarity NPC224462
0.9 High Similarity NPC226304
0.9 High Similarity NPC325555
0.9 High Similarity NPC42892
0.9 High Similarity NPC298847
0.9 High Similarity NPC160156
0.9 High Similarity NPC229729
0.9 High Similarity NPC275454
0.9 High Similarity NPC92565
0.9 High Similarity NPC265530
0.8994 High Similarity NPC55786
0.8994 High Similarity NPC34531
0.8994 High Similarity NPC240431
0.8994 High Similarity NPC19388
0.8994 High Similarity NPC277205
0.8988 High Similarity NPC22324
0.8983 High Similarity NPC65489
0.8971 High Similarity NPC469371
0.8971 High Similarity NPC473073
0.8971 High Similarity NPC53680
0.8971 High Similarity NPC473071
0.8971 High Similarity NPC208797
0.8966 High Similarity NPC476619
0.8966 High Similarity NPC476621
0.8966 High Similarity NPC476623
0.8966 High Similarity NPC476622
0.8966 High Similarity NPC217520
0.8966 High Similarity NPC476620
0.8966 High Similarity NPC476618
0.8966 High Similarity NPC173837
0.8966 High Similarity NPC139571
0.8966 High Similarity NPC35167
0.896 High Similarity NPC223426
0.896 High Similarity NPC34267
0.896 High Similarity NPC214621
0.896 High Similarity NPC472607
0.896 High Similarity NPC264735
0.896 High Similarity NPC108202
0.896 High Similarity NPC81042
0.8953 High Similarity NPC472386
0.8953 High Similarity NPC211594
0.8953 High Similarity NPC117260
0.8953 High Similarity NPC245452
0.8953 High Similarity NPC26230
0.8953 High Similarity NPC172807
0.8953 High Similarity NPC205076
0.8953 High Similarity NPC261254
0.8953 High Similarity NPC48773
0.8953 High Similarity NPC476405
0.8953 High Similarity NPC60735
0.8953 High Similarity NPC67134
0.8953 High Similarity NPC307518
0.8953 High Similarity NPC47140
0.8953 High Similarity NPC38438
0.8953 High Similarity NPC254540
0.8947 High Similarity NPC476771
0.8947 High Similarity NPC225434
0.8947 High Similarity NPC471457
0.8947 High Similarity NPC203050
0.8947 High Similarity NPC52382
0.8947 High Similarity NPC170675
0.8947 High Similarity NPC112755
0.8947 High Similarity NPC270578
0.8947 High Similarity NPC223747
0.8947 High Similarity NPC227508
0.8947 High Similarity NPC183036
0.8947 High Similarity NPC120099
0.8947 High Similarity NPC219904
0.8944 High Similarity NPC314020
0.8941 High Similarity NPC118284
0.8941 High Similarity NPC113968
0.8941 High Similarity NPC135599
0.8941 High Similarity NPC281131
0.8941 High Similarity NPC88789
0.8941 High Similarity NPC276222
0.8941 High Similarity NPC236934
0.8941 High Similarity NPC179950
0.8941 High Similarity NPC73855
0.8941 High Similarity NPC56077
0.8941 High Similarity NPC253662
0.8941 High Similarity NPC67037
0.8941 High Similarity NPC328940
0.8941 High Similarity NPC308404
0.8941 High Similarity NPC274618
0.8941 High Similarity NPC277174
0.8941 High Similarity NPC5778
0.8941 High Similarity NPC255615
0.8941 High Similarity NPC145038
0.8935 High Similarity NPC284960
0.8935 High Similarity NPC168822
0.8935 High Similarity NPC29830
0.8935 High Similarity NPC191306
0.8935 High Similarity NPC270335
0.8935 High Similarity NPC222936
0.8927 High Similarity NPC469650
0.892 High Similarity NPC473072
0.892 High Similarity NPC470446
0.892 High Similarity NPC36138
0.892 High Similarity NPC470445
0.892 High Similarity NPC107987
0.892 High Similarity NPC35924
0.892 High Similarity NPC297503
0.892 High Similarity NPC470449
0.892 High Similarity NPC97119
0.892 High Similarity NPC135831
0.892 High Similarity NPC470447
0.892 High Similarity NPC470718
0.892 High Similarity NPC199172
0.8914 High Similarity NPC198902

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC170203 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
0.9112 High Similarity NPD3818 Discontinued
0.907 High Similarity NPD4338 Clinical (unspecified phase)
0.8844 High Similarity NPD6797 Phase 2
0.8793 High Similarity NPD7251 Discontinued
0.8786 High Similarity NPD7074 Phase 3
0.8786 High Similarity NPD7472 Approved
0.8743 High Similarity NPD7808 Phase 3
0.8728 High Similarity NPD7054 Approved
0.869 High Similarity NPD4868 Clinical (unspecified phase)
0.8639 High Similarity NPD4381 Clinical (unspecified phase)
0.8629 High Similarity NPD7993 Clinical (unspecified phase)
0.8555 High Similarity NPD6168 Clinical (unspecified phase)
0.8555 High Similarity NPD6167 Clinical (unspecified phase)
0.8555 High Similarity NPD6166 Phase 2
0.8471 Intermediate Similarity NPD3882 Suspended
0.8462 Intermediate Similarity NPD1465 Phase 2
0.8457 Intermediate Similarity NPD7228 Approved
0.8402 Intermediate Similarity NPD1934 Approved
0.8372 Intermediate Similarity NPD6234 Discontinued
0.8305 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8304 Intermediate Similarity NPD3817 Phase 2
0.8294 Intermediate Similarity NPD37 Approved
0.8287 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8286 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8276 Intermediate Similarity NPD7199 Phase 2
0.8268 Intermediate Similarity NPD6559 Discontinued
0.8256 Intermediate Similarity NPD4966 Approved
0.8256 Intermediate Similarity NPD4965 Approved
0.8256 Intermediate Similarity NPD4967 Phase 2
0.8246 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8218 Intermediate Similarity NPD5494 Approved
0.8208 Intermediate Similarity NPD7075 Discontinued
0.8202 Intermediate Similarity NPD5844 Phase 1
0.8177 Intermediate Similarity NPD8312 Approved
0.8177 Intermediate Similarity NPD8313 Approved
0.8162 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8146 Intermediate Similarity NPD3751 Discontinued
0.814 Intermediate Similarity NPD2801 Approved
0.8092 Intermediate Similarity NPD5402 Approved
0.809 Intermediate Similarity NPD7473 Discontinued
0.807 Intermediate Similarity NPD4380 Phase 2
0.8066 Intermediate Similarity NPD7240 Approved
0.8066 Intermediate Similarity NPD7685 Pre-registration
0.8047 Intermediate Similarity NPD1512 Approved
0.8035 Intermediate Similarity NPD7819 Suspended
0.8035 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8023 Intermediate Similarity NPD6232 Discontinued
0.8 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7977 Intermediate Similarity NPD6801 Discontinued
0.7957 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7953 Intermediate Similarity NPD1653 Approved
0.7929 Intermediate Similarity NPD1511 Approved
0.7921 Intermediate Similarity NPD3787 Discontinued
0.7898 Intermediate Similarity NPD3749 Approved
0.7895 Intermediate Similarity NPD5403 Approved
0.7857 Intermediate Similarity NPD3750 Approved
0.7849 Intermediate Similarity NPD8434 Phase 2
0.7824 Intermediate Similarity NPD6799 Approved
0.7817 Intermediate Similarity NPD8151 Discontinued
0.7778 Intermediate Similarity NPD5401 Approved
0.7765 Intermediate Similarity NPD6959 Discontinued
0.7759 Intermediate Similarity NPD6599 Discontinued
0.7744 Intermediate Similarity NPD7435 Discontinued
0.7738 Intermediate Similarity NPD1549 Phase 2
0.7714 Intermediate Similarity NPD7411 Suspended
0.7684 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.768 Intermediate Similarity NPD3926 Phase 2
0.768 Intermediate Similarity NPD6782 Approved
0.768 Intermediate Similarity NPD6777 Approved
0.768 Intermediate Similarity NPD6781 Approved
0.768 Intermediate Similarity NPD6778 Approved
0.768 Intermediate Similarity NPD6776 Approved
0.768 Intermediate Similarity NPD6780 Approved
0.768 Intermediate Similarity NPD6779 Approved
0.7679 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD2533 Approved
0.7674 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD2534 Approved
0.7674 Intermediate Similarity NPD2532 Approved
0.7654 Intermediate Similarity NPD919 Approved
0.7633 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7629 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD6190 Approved
0.7585 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD8150 Discontinued
0.756 Intermediate Similarity NPD3748 Approved
0.7541 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD8455 Phase 2
0.7512 Intermediate Similarity NPD7874 Approved
0.7512 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD230 Phase 1
0.7475 Intermediate Similarity NPD7680 Approved
0.7475 Intermediate Similarity NPD7697 Approved
0.7475 Intermediate Similarity NPD7698 Approved
0.7475 Intermediate Similarity NPD7696 Phase 3
0.7473 Intermediate Similarity NPD1247 Approved
0.7471 Intermediate Similarity NPD7266 Discontinued
0.7456 Intermediate Similarity NPD1510 Phase 2
0.7442 Intermediate Similarity NPD4628 Phase 3
0.7437 Intermediate Similarity NPD7871 Phase 2
0.7437 Intermediate Similarity NPD7870 Phase 2
0.7437 Intermediate Similarity NPD8319 Approved
0.7437 Intermediate Similarity NPD8320 Phase 1
0.7425 Intermediate Similarity NPD1613 Approved
0.7425 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD6535 Approved
0.7423 Intermediate Similarity NPD6534 Approved
0.7413 Intermediate Similarity NPD7701 Phase 2
0.7412 Intermediate Similarity NPD2796 Approved
0.7389 Intermediate Similarity NPD7801 Approved
0.7389 Intermediate Similarity NPD7783 Phase 2
0.7389 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD7768 Phase 2
0.7341 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD943 Approved
0.731 Intermediate Similarity NPD7699 Phase 2
0.731 Intermediate Similarity NPD7700 Phase 2
0.7303 Intermediate Similarity NPD3226 Approved
0.7303 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD6674 Discontinued
0.7283 Intermediate Similarity NPD2800 Approved
0.7278 Intermediate Similarity NPD1933 Approved
0.725 Intermediate Similarity NPD6823 Phase 2
0.7243 Intermediate Similarity NPD5711 Approved
0.7243 Intermediate Similarity NPD5710 Approved
0.7241 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD4665 Approved
0.7225 Intermediate Similarity NPD4111 Phase 1
0.7219 Intermediate Similarity NPD1240 Approved
0.7209 Intermediate Similarity NPD1551 Phase 2
0.7207 Intermediate Similarity NPD7458 Discontinued
0.7192 Intermediate Similarity NPD7584 Approved
0.7191 Intermediate Similarity NPD920 Approved
0.7189 Intermediate Similarity NPD8127 Discontinued
0.7186 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD447 Suspended
0.7175 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD2346 Discontinued
0.7164 Intermediate Similarity NPD5006 Approved
0.7164 Intermediate Similarity NPD5005 Approved
0.7156 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD7229 Phase 3
0.7143 Intermediate Similarity NPD3027 Phase 3
0.7135 Intermediate Similarity NPD1607 Approved
0.7115 Intermediate Similarity NPD7930 Approved
0.711 Intermediate Similarity NPD6099 Approved
0.711 Intermediate Similarity NPD6100 Approved
0.711 Intermediate Similarity NPD2935 Discontinued
0.7104 Intermediate Similarity NPD5353 Approved
0.7101 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD1243 Approved
0.7081 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD6355 Discontinued
0.7075 Intermediate Similarity NPD7907 Approved
0.7073 Intermediate Similarity NPD7585 Approved
0.7068 Intermediate Similarity NPD5953 Discontinued
0.7062 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD2799 Discontinued
0.705 Intermediate Similarity NPD4420 Approved
0.7048 Intermediate Similarity NPD8404 Phase 2
0.7041 Intermediate Similarity NPD4287 Approved
0.7039 Intermediate Similarity NPD6273 Approved
0.7024 Intermediate Similarity NPD7583 Approved
0.7021 Intermediate Similarity NPD5242 Approved
0.702 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD6213 Phase 3
0.702 Intermediate Similarity NPD6212 Phase 3
0.7018 Intermediate Similarity NPD4060 Phase 1
0.7011 Intermediate Similarity NPD4288 Approved
0.7 Intermediate Similarity NPD7799 Discontinued
0.7 Intermediate Similarity NPD3764 Approved
0.6995 Remote Similarity NPD8366 Approved
0.6995 Remote Similarity NPD4419 Clinical (unspecified phase)
0.699 Remote Similarity NPD6843 Phase 3
0.699 Remote Similarity NPD6841 Approved
0.699 Remote Similarity NPD6842 Approved
0.6984 Remote Similarity NPD2403 Approved
0.6983 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6971 Remote Similarity NPD2344 Approved
0.6963 Remote Similarity NPD7286 Phase 2
0.6961 Remote Similarity NPD4002 Approved
0.6961 Remote Similarity NPD4004 Approved
0.6954 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7033 Discontinued
0.6946 Remote Similarity NPD3450 Approved
0.6946 Remote Similarity NPD2493 Approved
0.6946 Remote Similarity NPD3452 Approved
0.6946 Remote Similarity NPD2494 Approved
0.6928 Remote Similarity NPD9269 Phase 2
0.6927 Remote Similarity NPD7390 Discontinued

Structure

External Identifiers

PubChem CID   10416810
ChEMBL   CHEMBL447361
ZINC  

Physicochemical Properties

Molecular Weight:  650.08
ALogP:  -5.4315
MLogP:  2.34
XLogP:  -2.717
# Rotatable Bonds:  14
Polar Surface Area:  316.73
# H-Bond Aceptor:  13
# H-Bond Donor:  10
# Rings:  6
# Heavy Atoms:  46

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