Natural Product: NPC208650

Natural Product ID:  NPC208650
Common Name:   Ginsenoside Rb1
IUPAC Name:   (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:   Ginsenoside Rb1
Molecular Formula:   C54H92O23
Standard InCHIKey:  GZYPWOGIYAIIPV-JBDTYSNRSA-N
Standard InCHI:  InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)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
NPO26811 Gynostemma yixingense Species Cucurbitaceae Eukaryota TCMID*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMID*
NPO12934 Gynostemma pentaphyllum Species Cucurbitaceae Eukaryota TCMID*
NPO14105.2 Panax pseudo-ginseng var. notoginseng Varieties Araliaceae Eukaryota TCMID*
NPO20712 Panax quinquefolius Species Araliaceae Eukaryota TCMID*
NPO28005.1 Panax japonicus var. bipinnatifidus Varieties Araliaceae Eukaryota TCMID*
NPO918 Dahlia pinnata Species Asteraceae Eukaryota UNPD*
NPO25128 Panax vietnamensis Species Araliaceae Eukaryota Vietnam PMID[11325227]
NPO28005 Panax japonicus Species Araliaceae Eukaryota PMID[12350149]
NPO28005.2 Panax japonicus var. major (burk.) wu et feng Varieties Araliaceae Eukaryota Roots PMID[21417387]
NPO20712 Panax quinquefolius Species Araliaceae Eukaryota leaves and stems PMID[25442304]
NPO4305 Pertusaria wulfenii Species Pertusariaceae Eukaryota UNPD*
NPO28005.2 Panax japonicus var. major (burk.) wu et feng Varieties Araliaceae Eukaryota Root PMID[21417387]
NPO29141 Panax ginseng Species Araliaceae Eukaryota HerDing*
NPO16506 Synotis alata Species Asteraceae Eukaryota UNPD*
NPO11990 Coleostephus myconis Species Asteraceae Eukaryota UNPD*
NPO12934 Gynostemma pentaphyllum Species Cucurbitaceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO28005 Panax japonicus Species Araliaceae Eukaryota TM-MC*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TM-MC*
NPO20712 Panax quinquefolius Species Araliaceae Eukaryota TM-MC*
NPO14105.1 Panax pseudo - ginseng var. japonicus Varieties Araliaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT993 Cell Line Hepatocyte Mus musculus Survival = 34.4 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Survival = 39.6 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Survival = 36 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 14.3 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 31.9 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 19.8 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Activity = 6 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Activity = 13.7 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Activity = 8.5 % 11325227
NPT2 Others Unspecified Activity = 47 % 18676142
NPT2 Others Unspecified Activity = 24 % 18676142
NPT2 Others Unspecified Activity = 42 % 18676142
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 > 200 ug/ml 1710653
NPT136 Cell Line SK-N-SH Homo sapiens Activity = 178 % 12350149
NPT136 Cell Line SK-N-SH Homo sapiens Activity = 0.93 12350149
NPT32 Organism Mus musculus Mus musculus Inhibition = 331 % 12880307
NPT32 Organism Mus musculus Mus musculus Inhibition = 40 % 12880307
NPT1044 Individual Protein DNA topoisomerase II alpha Homo sapiens IC50 > 250000 nM 20371180
NPT143 Individual Protein DNA topoisomerase I Homo sapiens IC50 > 250000 nM 20371180
NPT2 Others Unspecified Inhibition = 10.8 % 21417387
NPT2 Others Unspecified Inhibition = 7.36 % 21417387
NPT75 Cell Line U251 Homo sapiens Activity = 76.08 % 25442304
NPT76 Cell Line C6 Rattus norvegicus Activity = 78.99 % 25442304
NPT2 Others Unspecified Activity = 9.77 % 21956953
NPT2 Others Unspecified Activity = 91 % 21956953
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Activity = 104.6 % 26508549
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Activity = 116.7 % 26508549

  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 NPC208650 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 NPC14946
1.0 High Similarity NPC63368
0.9899 High Similarity NPC6931
0.9899 High Similarity NPC180183
0.9899 High Similarity NPC159005
0.9899 High Similarity NPC246124
0.9898 High Similarity NPC269627
0.9898 High Similarity NPC160816
0.9898 High Similarity NPC194842
0.9898 High Similarity NPC208477
0.9898 High Similarity NPC127801
0.9898 High Similarity NPC152584
0.9898 High Similarity NPC208594
0.9898 High Similarity NPC69737
0.9798 High Similarity NPC181467
0.97 High Similarity NPC220427
0.9694 High Similarity NPC286969
0.9694 High Similarity NPC157659
0.9694 High Similarity NPC473020
0.9694 High Similarity NPC211879
0.9694 High Similarity NPC16520
0.9694 High Similarity NPC155010
0.9694 High Similarity NPC120123
0.9694 High Similarity NPC114874
0.9694 High Similarity NPC8039
0.9694 High Similarity NPC131479
0.9694 High Similarity NPC189852
0.9694 High Similarity NPC245280
0.9694 High Similarity NPC31907
0.9694 High Similarity NPC472252
0.9604 High Similarity NPC302057
0.96 High Similarity NPC190395
0.9596 High Similarity NPC273879
0.9596 High Similarity NPC165033
0.9592 High Similarity NPC312553
0.9592 High Similarity NPC159036
0.9592 High Similarity NPC288694
0.95 High Similarity NPC309448
0.9495 High Similarity NPC16573
0.949 High Similarity NPC309425
0.949 High Similarity NPC4831
0.949 High Similarity NPC129372
0.949 High Similarity NPC160734
0.949 High Similarity NPC88000
0.949 High Similarity NPC47566
0.949 High Similarity NPC472023
0.9417 High Similarity NPC65167
0.9406 High Similarity NPC231340
0.94 High Similarity NPC476361
0.94 High Similarity NPC221562
0.94 High Similarity NPC476360
0.94 High Similarity NPC470885
0.94 High Similarity NPC187400
0.9394 High Similarity NPC136816
0.9388 High Similarity NPC7341
0.9388 High Similarity NPC473200
0.9327 High Similarity NPC472716
0.9314 High Similarity NPC472988
0.9314 High Similarity NPC38217
0.93 High Similarity NPC213190
0.93 High Similarity NPC123796
0.9286 High Similarity NPC234287
0.9286 High Similarity NPC280825
0.9238 High Similarity NPC476693
0.9238 High Similarity NPC476671
0.9231 High Similarity NPC472715
0.9223 High Similarity NPC43976
0.9223 High Similarity NPC51925
0.9223 High Similarity NPC154085
0.9223 High Similarity NPC296761
0.9223 High Similarity NPC125361
0.9216 High Similarity NPC473469
0.9216 High Similarity NPC234160
0.9216 High Similarity NPC94272
0.9208 High Similarity NPC148603
0.92 High Similarity NPC30289
0.92 High Similarity NPC256133
0.92 High Similarity NPC76497
0.92 High Similarity NPC213674
0.9159 High Similarity NPC20979
0.9151 High Similarity NPC477810
0.9135 High Similarity NPC472717
0.9126 High Similarity NPC7213
0.9126 High Similarity NPC472896
0.9126 High Similarity NPC472897
0.9118 High Similarity NPC473199
0.9118 High Similarity NPC242748
0.9118 High Similarity NPC472899
0.9118 High Similarity NPC472900
0.9118 High Similarity NPC470512
0.9118 High Similarity NPC173859
0.9118 High Similarity NPC138057
0.9118 High Similarity NPC472898
0.9109 High Similarity NPC473198
0.91 High Similarity NPC117714
0.91 High Similarity NPC263756
0.9082 High Similarity NPC472989
0.9074 High Similarity NPC10366
0.9065 High Similarity NPC146652
0.9048 High Similarity NPC472987
0.9048 High Similarity NPC124677
0.9048 High Similarity NPC473021
0.9048 High Similarity NPC476547
0.9048 High Similarity NPC475247
0.9048 High Similarity NPC294129
0.9048 High Similarity NPC197231
0.9048 High Similarity NPC477032
0.9048 High Similarity NPC477028
0.9038 High Similarity NPC171073
0.9038 High Similarity NPC248746
0.9038 High Similarity NPC84956
0.9038 High Similarity NPC218571
0.9038 High Similarity NPC102016
0.9038 High Similarity NPC95051
0.9038 High Similarity NPC300557
0.9038 High Similarity NPC194207
0.9038 High Similarity NPC73243
0.9038 High Similarity NPC244086
0.9038 High Similarity NPC208383
0.9038 High Similarity NPC309278
0.9038 High Similarity NPC470433
0.9038 High Similarity NPC249265
0.9038 High Similarity NPC150372
0.9038 High Similarity NPC475333
0.9038 High Similarity NPC477809
0.9038 High Similarity NPC232054
0.9038 High Similarity NPC46190
0.9038 High Similarity NPC6806
0.9038 High Similarity NPC475550
0.9038 High Similarity NPC22779
0.9038 High Similarity NPC224098
0.9029 High Similarity NPC78034
0.902 High Similarity NPC471435
0.902 High Similarity NPC230948
0.902 High Similarity NPC471434
0.902 High Similarity NPC473734
0.901 High Similarity NPC272015
0.9 High Similarity NPC282669
0.8981 High Similarity NPC476690
0.8981 High Similarity NPC100048
0.8972 High Similarity NPC167183
0.8972 High Similarity NPC32707
0.8962 High Similarity NPC31896
0.8962 High Similarity NPC19888
0.8962 High Similarity NPC210569
0.8962 High Similarity NPC263359
0.8962 High Similarity NPC32361
0.8962 High Similarity NPC244431
0.8962 High Similarity NPC475312
0.8952 High Similarity NPC222202
0.8952 High Similarity NPC269297
0.8952 High Similarity NPC224314
0.8952 High Similarity NPC87998
0.8952 High Similarity NPC23808
0.8952 High Similarity NPC477811
0.8942 High Similarity NPC98696
0.8942 High Similarity NPC235824
0.8942 High Similarity NPC126147
0.8932 High Similarity NPC474569
0.8932 High Similarity NPC473923
0.8932 High Similarity NPC473476
0.8909 High Similarity NPC135369
0.8899 High Similarity NPC476692
0.8899 High Similarity NPC476691
0.8889 High Similarity NPC279638
0.8879 High Similarity NPC79900
0.8879 High Similarity NPC476546
0.8879 High Similarity NPC307642
0.8868 High Similarity NPC114188
0.8868 High Similarity NPC13193
0.8857 High Similarity NPC306131
0.8857 High Similarity NPC250089
0.8857 High Similarity NPC14630
0.8857 High Similarity NPC477027
0.8857 High Similarity NPC70204
0.8857 High Similarity NPC157530
0.8857 High Similarity NPC476835
0.8857 High Similarity NPC475670
0.8857 High Similarity NPC477026
0.8857 High Similarity NPC40440
0.8857 High Similarity NPC472901
0.8857 High Similarity NPC42482
0.8846 High Similarity NPC161676
0.8846 High Similarity NPC281939
0.8846 High Similarity NPC14704
0.8846 High Similarity NPC305423
0.8846 High Similarity NPC470432
0.8846 High Similarity NPC230507
0.8846 High Similarity NPC257964
0.8846 High Similarity NPC113044
0.8846 High Similarity NPC283829
0.8835 High Similarity NPC475521
0.8835 High Similarity NPC75608
0.8835 High Similarity NPC312774
0.8835 High Similarity NPC475365
0.88 High Similarity NPC473890
0.88 High Similarity NPC243728
0.8796 High Similarity NPC208832
0.8796 High Similarity NPC11548
0.8785 High Similarity NPC254255

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC208650 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
0.8571 High Similarity NPD8377 Approved
0.8571 High Similarity NPD8294 Approved
0.8496 Intermediate Similarity NPD8296 Approved
0.8496 Intermediate Similarity NPD8335 Approved
0.8496 Intermediate Similarity NPD8378 Approved
0.8496 Intermediate Similarity NPD8380 Approved
0.8496 Intermediate Similarity NPD8379 Approved
0.8333 Intermediate Similarity NPD8033 Approved
0.8198 Intermediate Similarity NPD8133 Approved
0.807 Intermediate Similarity NPD7327 Approved
0.807 Intermediate Similarity NPD7328 Approved
0.8039 Intermediate Similarity NPD8171 Discontinued
0.8 Intermediate Similarity NPD7516 Approved
0.7712 Intermediate Similarity NPD7503 Approved
0.7658 Intermediate Similarity NPD6412 Phase 2
0.7603 Intermediate Similarity NPD7507 Approved
0.7583 Intermediate Similarity NPD8328 Phase 3
0.7551 Intermediate Similarity NPD7525 Registered
0.7522 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD8450 Suspended
0.7419 Intermediate Similarity NPD7319 Approved
0.7381 Intermediate Similarity NPD8449 Approved
0.7373 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7736 Approved
0.713 Intermediate Similarity NPD6686 Approved
0.71 Intermediate Similarity NPD7645 Phase 2
0.7073 Intermediate Similarity NPD6370 Approved
0.7048 Intermediate Similarity NPD7524 Approved
0.6992 Remote Similarity NPD8516 Approved
0.6992 Remote Similarity NPD8515 Approved
0.6992 Remote Similarity NPD8517 Approved
0.6984 Remote Similarity NPD8293 Discontinued
0.6923 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6911 Remote Similarity NPD6054 Approved
0.6911 Remote Similarity NPD6059 Approved
0.6875 Remote Similarity NPD7638 Approved
0.6863 Remote Similarity NPD6928 Phase 2
0.6855 Remote Similarity NPD8513 Phase 3
0.6827 Remote Similarity NPD6695 Phase 3
0.6814 Remote Similarity NPD7639 Approved
0.6814 Remote Similarity NPD7640 Approved
0.675 Remote Similarity NPD8297 Approved
0.675 Remote Similarity NPD6882 Approved
0.6729 Remote Similarity NPD7750 Discontinued
0.672 Remote Similarity NPD6016 Approved
0.672 Remote Similarity NPD6015 Approved
0.67 Remote Similarity NPD6942 Approved
0.67 Remote Similarity NPD7339 Approved
0.6693 Remote Similarity NPD7492 Approved
0.6691 Remote Similarity NPD7625 Phase 1
0.6667 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6009 Approved
0.6667 Remote Similarity NPD5988 Approved
0.6641 Remote Similarity NPD6616 Approved
0.664 Remote Similarity NPD6319 Approved
0.6636 Remote Similarity NPD8035 Phase 2
0.6636 Remote Similarity NPD8034 Phase 2
0.6634 Remote Similarity NPD6933 Approved
0.6614 Remote Similarity NPD6067 Discontinued
0.6589 Remote Similarity NPD7078 Approved
0.6557 Remote Similarity NPD4632 Approved
0.6538 Remote Similarity NPD6931 Approved
0.6538 Remote Similarity NPD6930 Phase 2
0.6531 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6525 Remote Similarity NPD6402 Approved
0.6525 Remote Similarity NPD5739 Approved
0.6525 Remote Similarity NPD7128 Approved
0.6525 Remote Similarity NPD6675 Approved
0.6518 Remote Similarity NPD7748 Approved
0.65 Remote Similarity NPD6373 Approved
0.65 Remote Similarity NPD6372 Approved
0.6491 Remote Similarity NPD7902 Approved
0.6471 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6442 Remote Similarity NPD6929 Approved
0.6436 Remote Similarity NPD1811 Approved
0.6436 Remote Similarity NPD1810 Approved
0.6436 Remote Similarity NPD6924 Approved
0.6436 Remote Similarity NPD6926 Approved
0.6429 Remote Similarity NPD6399 Phase 3
0.6422 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6417 Remote Similarity NPD6899 Approved
0.6417 Remote Similarity NPD7320 Approved
0.6417 Remote Similarity NPD6881 Approved
0.6412 Remote Similarity NPD6033 Approved
0.6408 Remote Similarity NPD6932 Approved
0.64 Remote Similarity NPD7115 Discovery
0.6393 Remote Similarity NPD8130 Phase 1
0.6393 Remote Similarity NPD6650 Approved
0.6393 Remote Similarity NPD6649 Approved
0.6389 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6348 Remote Similarity NPD4755 Approved
0.6339 Remote Similarity NPD7087 Discontinued
0.6339 Remote Similarity NPD7515 Phase 2
0.6333 Remote Similarity NPD5701 Approved
0.6333 Remote Similarity NPD5697 Approved
0.6311 Remote Similarity NPD4634 Approved
0.6311 Remote Similarity NPD7102 Approved
0.6311 Remote Similarity NPD7290 Approved
0.6311 Remote Similarity NPD6883 Approved
0.6306 Remote Similarity NPD5328 Approved
0.6296 Remote Similarity NPD4786 Approved
0.6286 Remote Similarity NPD6683 Phase 2
0.6283 Remote Similarity NPD4202 Approved
0.6271 Remote Similarity NPD7632 Discontinued
0.626 Remote Similarity NPD6617 Approved
0.626 Remote Similarity NPD6847 Approved
0.626 Remote Similarity NPD6869 Approved
0.625 Remote Similarity NPD6925 Approved
0.625 Remote Similarity NPD5776 Phase 2
0.625 Remote Similarity NPD3168 Discontinued
0.6239 Remote Similarity NPD4696 Approved
0.6239 Remote Similarity NPD6893 Approved
0.6239 Remote Similarity NPD5285 Approved
0.6239 Remote Similarity NPD5286 Approved
0.6239 Remote Similarity NPD4700 Approved
0.6238 Remote Similarity NPD4243 Approved
0.6231 Remote Similarity NPD7604 Phase 2
0.623 Remote Similarity NPD6012 Approved
0.623 Remote Similarity NPD4061 Clinical (unspecified phase)
0.623 Remote Similarity NPD6013 Approved
0.623 Remote Similarity NPD6014 Approved
0.6228 Remote Similarity NPD7900 Approved
0.6228 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6226 Remote Similarity NPD7514 Phase 3
0.6226 Remote Similarity NPD7509 Discontinued
0.6207 Remote Similarity NPD6083 Phase 2
0.6207 Remote Similarity NPD6084 Phase 2
0.6202 Remote Similarity NPD5983 Phase 2
0.6195 Remote Similarity NPD6079 Approved
0.619 Remote Similarity NPD7145 Approved
0.6182 Remote Similarity NPD3618 Phase 1
0.6174 Remote Similarity NPD7991 Discontinued
0.6154 Remote Similarity NPD4225 Approved
0.6148 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6148 Remote Similarity NPD6011 Approved
0.6139 Remote Similarity NPD2687 Approved
0.6139 Remote Similarity NPD2686 Approved
0.6139 Remote Similarity NPD2254 Approved
0.6136 Remote Similarity NPD6336 Discontinued
0.6134 Remote Similarity NPD4633 Approved
0.6134 Remote Similarity NPD5211 Phase 2
0.6134 Remote Similarity NPD5224 Approved
0.6134 Remote Similarity NPD5226 Approved
0.6134 Remote Similarity NPD5225 Approved
0.6129 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6117 Remote Similarity NPD4785 Approved
0.6117 Remote Similarity NPD4784 Approved
0.6116 Remote Similarity NPD4767 Approved
0.6116 Remote Similarity NPD6008 Approved
0.6116 Remote Similarity NPD4768 Approved
0.6111 Remote Similarity NPD3667 Approved
0.6083 Remote Similarity NPD5175 Approved
0.6083 Remote Similarity NPD5174 Approved
0.6078 Remote Similarity NPD7150 Approved
0.6078 Remote Similarity NPD7152 Approved
0.6078 Remote Similarity NPD7151 Approved
0.6075 Remote Similarity NPD4748 Discontinued
0.6075 Remote Similarity NPD7332 Phase 2
0.6063 Remote Similarity NPD6940 Discontinued
0.6055 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6055 Remote Similarity NPD3669 Approved
0.6053 Remote Similarity NPD7637 Suspended
0.605 Remote Similarity NPD5223 Approved
0.605 Remote Similarity NPD4159 Approved
0.605 Remote Similarity NPD5344 Discontinued
0.6048 Remote Similarity NPD5955 Clinical (unspecified phase)
0.604 Remote Similarity NPD6923 Approved
0.604 Remote Similarity NPD6922 Approved
0.6033 Remote Similarity NPD5141 Approved
0.6019 Remote Similarity NPD6902 Approved
0.6019 Remote Similarity NPD6898 Phase 1
0.6018 Remote Similarity NPD4753 Phase 2
0.6018 Remote Similarity NPD6051 Approved
0.6017 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6016 Remote Similarity NPD8174 Phase 2
0.6016 Remote Similarity NPD4729 Approved
0.6016 Remote Similarity NPD4730 Approved
0.5983 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5983 Remote Similarity NPD5222 Approved
0.5983 Remote Similarity NPD4697 Phase 3
0.5983 Remote Similarity NPD5221 Approved
0.598 Remote Similarity NPD7143 Approved
0.598 Remote Similarity NPD7144 Approved
0.597 Remote Similarity NPD8074 Phase 3
0.5956 Remote Similarity NPD5956 Approved
0.595 Remote Similarity NPD4754 Approved
0.5938 Remote Similarity NPD6274 Approved
0.5932 Remote Similarity NPD5173 Approved
0.5929 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5923 Remote Similarity NPD7101 Approved
0.5923 Remote Similarity NPD7100 Approved
0.592 Remote Similarity NPD5251 Approved
0.592 Remote Similarity NPD5250 Approved
0.592 Remote Similarity NPD5247 Approved
0.592 Remote Similarity NPD5248 Approved
0.592 Remote Similarity NPD5249 Phase 3
0.5905 Remote Similarity NPD5275 Approved
0.5905 Remote Similarity NPD4190 Phase 3
0.5897 Remote Similarity NPD5695 Phase 3

Structure

External Identifiers

PubChem CID   9898279
ChEMBL   CHEMBL501515
ZINC  

Physicochemical Properties

Molecular Weight:  1108.60
ALogP:  -4.4527
MLogP:  4.87
XLogP:  2.673
# Rotatable Bonds:  39
Polar Surface Area:  377.29
# H-Bond Aceptor:  23
# H-Bond Donor:  15
# Rings:  8
# Heavy Atoms:  77

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs