Natural Product: NPC207689

Natural Product ID:  NPC207689
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C21H26O4
Standard InCHIKey:  UEKBPJOUDFFTMZ-BFOQGOHBSA-N
Standard InCHI:  InChI=1S/C21H26O4/c1-11(22)21-18(25-21)10-16-14-5-4-12-8-13(23)6-7-19(12,2)15(14)9-17(24)20(16,21)3/h4-5,8,14-18,24H,6-7,9-10H2,1-3H3/t14-,15+,16+,17-,18+,19+,20-,21+/m1/s1
Canonical SMILES:  O=C1CC[C@]2(C(=C1)C=C[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@H]1C[C@H]1[C@@]2(O1)C(=O)C)C)C
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
NPO8472 Knightia deplanchei Species Proteaceae Eukaryota UNPD*
NPO6974 Solanum racemigerum Species Solanaceae Eukaryota UNPD*
NPO6377 Cocculus diversifolius Species Menispermaceae Eukaryota UNPD*
NPO6776 Trifolium apertum Species Fabaceae Eukaryota UNPD*
NPO2342 Cytisus scoparius Species Fabaceae Eukaryota UNPD*
NPO2361 Aconitum brevicalcaratum Species Ranunculaceae Eukaryota UNPD*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO15583 Tripodanthus acutifolius Species Loranthaceae Eukaryota UNPD*
NPO1071 Parerythropodium fulvum NA NA NA UNPD*
NPO715 Teucrium pestalozzae Species Lamiaceae Eukaryota UNPD*
NPO3146 Ammodendron conollyi Species Fabaceae Eukaryota UNPD*
NPO4253 Viguiera annua Species Asteraceae Eukaryota UNPD*
NPO20132 Scutellaria seleriana Species Lamiaceae Eukaryota UNPD*
NPO18054 Curvularia coicis Species Pleosporaceae Eukaryota UNPD*
NPO8585 Verpa digitaliformis Species Morchellaceae Eukaryota UNPD*
NPO13325 Plantago lanceolata Species Plantaginaceae Eukaryota UNPD*
NPO4082 Ophiarthrum elegans Species Ophiocomidae Eukaryota UNPD*
NPO12987 Rhododendron farrerae Species Ericaceae Eukaryota UNPD*
NPO6520 Myrica multiflora Species Myricaceae Eukaryota UNPD*
NPO3936 Malva sylvestris Species Malvaceae Eukaryota UNPD*
NPO1308 Veronica pectinata Species Plantaginaceae Eukaryota UNPD*
NPO2747 Hypericum triquetrifolium Species Hypericaceae Eukaryota UNPD*
NPO3664 Mesembryanthemum anatomicum Species Aizoaceae Eukaryota UNPD*
NPO8840 Ptilidium ciliare Species Ptilidiaceae Eukaryota UNPD*
NPO24652 Toxicodendron succedaneum Species Anacardiaceae Eukaryota UNPD*
NPO7097 Rhynchosporium orthosporum Species NA Eukaryota UNPD*
NPO1607 Croton rhamnifolius Species Euphorbiaceae Eukaryota UNPD*
NPO5591 Fucus spiralis Species Fucaceae Eukaryota UNPD*
NPO5980 Eria subsessilis Species Orchidaceae Eukaryota UNPD*
NPO2518 Crinum kirkii Species Amaryllidaceae Eukaryota UNPD*
NPO14048 Cryptotaenia japonica Species Apiaceae Eukaryota UNPD*
NPO5197 Streptomyces eurythermus Species Streptomycetaceae Bacteria UNPD*
NPO351 Cirsium dipsacolepis Species Asteraceae Eukaryota UNPD*
NPO10021 Nerium oleander Species Apocynaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 > 100 ug/ml 17253842
NPT2 Others Unspecified Activity = 103 % 17253842
NPT2 Others Unspecified Activity = 108 % 17253842
NPT2 Others Unspecified Activity = 99 % 17253842
NPT1475 Cell Line WI-38 VA13 Homo sapiens IC50 = 73.1 ug/ml 17253842
NPT65 Cell Line HepG2 Homo sapiens IC50 = 62.1 ug/ml 17253842

  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 NPC207689 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
0.8349 Intermediate Similarity NPC44063
0.8333 Intermediate Similarity NPC474518
0.8318 Intermediate Similarity NPC22388
0.8302 Intermediate Similarity NPC144956
0.8288 Intermediate Similarity NPC235077
0.8286 Intermediate Similarity NPC18509
0.8269 Intermediate Similarity NPC472485
0.8261 Intermediate Similarity NPC118638
0.8257 Intermediate Similarity NPC257353
0.8246 Intermediate Similarity NPC270958
0.823 Intermediate Similarity NPC317210
0.8224 Intermediate Similarity NPC112613
0.8208 Intermediate Similarity NPC191565
0.8198 Intermediate Similarity NPC87335
0.8198 Intermediate Similarity NPC470257
0.8198 Intermediate Similarity NPC2766
0.8182 Intermediate Similarity NPC43285
0.8182 Intermediate Similarity NPC58370
0.8173 Intermediate Similarity NPC111015
0.8158 Intermediate Similarity NPC238667
0.8148 Intermediate Similarity NPC478176
0.8142 Intermediate Similarity NPC71348
0.8136 Intermediate Similarity NPC313528
0.8131 Intermediate Similarity NPC474720
0.8131 Intermediate Similarity NPC154072
0.8125 Intermediate Similarity NPC163314
0.8125 Intermediate Similarity NPC76084
0.8095 Intermediate Similarity NPC280725
0.8073 Intermediate Similarity NPC117185
0.8073 Intermediate Similarity NPC131366
0.8073 Intermediate Similarity NPC159442
0.8073 Intermediate Similarity NPC247957
0.8073 Intermediate Similarity NPC249187
0.807 Intermediate Similarity NPC202889
0.807 Intermediate Similarity NPC52634
0.807 Intermediate Similarity NPC194100
0.8056 Intermediate Similarity NPC207885
0.8053 Intermediate Similarity NPC214797
0.8053 Intermediate Similarity NPC118860
0.8053 Intermediate Similarity NPC474229
0.8053 Intermediate Similarity NPC231589
0.8037 Intermediate Similarity NPC477813
0.8036 Intermediate Similarity NPC304495
0.8034 Intermediate Similarity NPC472933
0.8019 Intermediate Similarity NPC94337
0.8019 Intermediate Similarity NPC49371
0.8017 Intermediate Similarity NPC473253
0.8 Intermediate Similarity NPC196485
0.8 Intermediate Similarity NPC473898
0.8 Intermediate Similarity NPC137657
0.8 Intermediate Similarity NPC245972
0.8 Intermediate Similarity NPC96268
0.8 Intermediate Similarity NPC29705
0.8 Intermediate Similarity NPC72255
0.7984 Intermediate Similarity NPC469674
0.7982 Intermediate Similarity NPC170487
0.7965 Intermediate Similarity NPC197428
0.7961 Intermediate Similarity NPC326627
0.7961 Intermediate Similarity NPC310010
0.7946 Intermediate Similarity NPC322903
0.7944 Intermediate Similarity NPC190080
0.7944 Intermediate Similarity NPC471916
0.7944 Intermediate Similarity NPC111187
0.7941 Intermediate Similarity NPC136548
0.7931 Intermediate Similarity NPC476963
0.7928 Intermediate Similarity NPC196528
0.7928 Intermediate Similarity NPC166607
0.7928 Intermediate Similarity NPC128828
0.7925 Intermediate Similarity NPC263347
0.7925 Intermediate Similarity NPC222845
0.7925 Intermediate Similarity NPC45324
0.7925 Intermediate Similarity NPC162001
0.7913 Intermediate Similarity NPC472926
0.7909 Intermediate Similarity NPC191892
0.7905 Intermediate Similarity NPC134826
0.7905 Intermediate Similarity NPC233118
0.7899 Intermediate Similarity NPC67569
0.7899 Intermediate Similarity NPC470921
0.789 Intermediate Similarity NPC477052
0.789 Intermediate Similarity NPC477051
0.789 Intermediate Similarity NPC477053
0.7886 Intermediate Similarity NPC221414
0.7886 Intermediate Similarity NPC470880
0.7885 Intermediate Similarity NPC129913
0.7881 Intermediate Similarity NPC473203
0.7881 Intermediate Similarity NPC476960
0.7876 Intermediate Similarity NPC470615
0.7876 Intermediate Similarity NPC241927
0.7876 Intermediate Similarity NPC20192
0.7876 Intermediate Similarity NPC258543
0.787 Intermediate Similarity NPC186810
0.787 Intermediate Similarity NPC103051
0.7863 Intermediate Similarity NPC239273
0.7863 Intermediate Similarity NPC472927
0.7863 Intermediate Similarity NPC243065
0.7863 Intermediate Similarity NPC218970
0.7857 Intermediate Similarity NPC83744
0.7851 Intermediate Similarity NPC8374
0.7851 Intermediate Similarity NPC473255
0.785 Intermediate Similarity NPC471153
0.7845 Intermediate Similarity NPC326542
0.7845 Intermediate Similarity NPC247069
0.7845 Intermediate Similarity NPC470953
0.7838 Intermediate Similarity NPC160843
0.7833 Intermediate Similarity NPC470265
0.7833 Intermediate Similarity NPC23786
0.783 Intermediate Similarity NPC209662
0.7826 Intermediate Similarity NPC475970
0.7826 Intermediate Similarity NPC207251
0.7826 Intermediate Similarity NPC280782
0.7818 Intermediate Similarity NPC477054
0.7815 Intermediate Similarity NPC476962
0.7815 Intermediate Similarity NPC474370
0.781 Intermediate Similarity NPC185936
0.781 Intermediate Similarity NPC168027
0.781 Intermediate Similarity NPC19114
0.7807 Intermediate Similarity NPC210005
0.7807 Intermediate Similarity NPC6206
0.7798 Intermediate Similarity NPC15390
0.7798 Intermediate Similarity NPC472972
0.7798 Intermediate Similarity NPC112167
0.7798 Intermediate Similarity NPC83709
0.7797 Intermediate Similarity NPC146786
0.7788 Intermediate Similarity NPC329417
0.7788 Intermediate Similarity NPC102843
0.7788 Intermediate Similarity NPC65941
0.7788 Intermediate Similarity NPC94529
0.7787 Intermediate Similarity NPC63186
0.7778 Intermediate Similarity NPC270478
0.7769 Intermediate Similarity NPC238005
0.7769 Intermediate Similarity NPC472078
0.7769 Intermediate Similarity NPC204812
0.7769 Intermediate Similarity NPC1980
0.7769 Intermediate Similarity NPC472077
0.7769 Intermediate Similarity NPC141196
0.7769 Intermediate Similarity NPC469789
0.7769 Intermediate Similarity NPC120724
0.7768 Intermediate Similarity NPC50692
0.7768 Intermediate Similarity NPC470309
0.7768 Intermediate Similarity NPC85829
0.7768 Intermediate Similarity NPC319077
0.7768 Intermediate Similarity NPC475494
0.7768 Intermediate Similarity NPC171137
0.7768 Intermediate Similarity NPC214264
0.7768 Intermediate Similarity NPC152695
0.7768 Intermediate Similarity NPC150531
0.7768 Intermediate Similarity NPC296945
0.7768 Intermediate Similarity NPC97202
0.7768 Intermediate Similarity NPC48733
0.7768 Intermediate Similarity NPC49958
0.7768 Intermediate Similarity NPC202167
0.7768 Intermediate Similarity NPC260268
0.7768 Intermediate Similarity NPC476027
0.7768 Intermediate Similarity NPC302607
0.7759 Intermediate Similarity NPC108721
0.7759 Intermediate Similarity NPC73300
0.7759 Intermediate Similarity NPC477266
0.7759 Intermediate Similarity NPC962
0.7759 Intermediate Similarity NPC122056
0.7759 Intermediate Similarity NPC178981
0.7757 Intermediate Similarity NPC88310
0.7757 Intermediate Similarity NPC184848
0.7757 Intermediate Similarity NPC472824
0.7757 Intermediate Similarity NPC271195
0.7757 Intermediate Similarity NPC69548
0.7757 Intermediate Similarity NPC127063
0.775 Intermediate Similarity NPC470418
0.775 Intermediate Similarity NPC46570
0.7748 Intermediate Similarity NPC311612
0.7748 Intermediate Similarity NPC140723
0.7748 Intermediate Similarity NPC111323
0.7739 Intermediate Similarity NPC317107
0.7739 Intermediate Similarity NPC470281
0.7739 Intermediate Similarity NPC476023
0.7739 Intermediate Similarity NPC43775
0.7736 Intermediate Similarity NPC474807
0.7736 Intermediate Similarity NPC152897
0.7736 Intermediate Similarity NPC66429
0.7731 Intermediate Similarity NPC61520
0.7731 Intermediate Similarity NPC264954
0.7731 Intermediate Similarity NPC305260
0.7731 Intermediate Similarity NPC270850
0.7727 Intermediate Similarity NPC237190
0.7724 Intermediate Similarity NPC473265
0.7724 Intermediate Similarity NPC287423
0.7724 Intermediate Similarity NPC305496
0.7724 Intermediate Similarity NPC470882
0.7719 Intermediate Similarity NPC214644
0.7719 Intermediate Similarity NPC170221
0.7719 Intermediate Similarity NPC10064
0.7712 Intermediate Similarity NPC472934
0.7706 Intermediate Similarity NPC48647
0.7706 Intermediate Similarity NPC147954
0.7706 Intermediate Similarity NPC264378
0.7705 Intermediate Similarity NPC241456
0.7705 Intermediate Similarity NPC32868
0.7699 Intermediate Similarity NPC475060
0.7699 Intermediate Similarity NPC185
0.7699 Intermediate Similarity NPC477916
0.7699 Intermediate Similarity NPC220229

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC207689 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
0.8349 Intermediate Similarity NPD5697 Approved
0.8302 Intermediate Similarity NPD5285 Approved
0.8302 Intermediate Similarity NPD4696 Approved
0.8302 Intermediate Similarity NPD5286 Approved
0.8288 Intermediate Similarity NPD4634 Approved
0.8286 Intermediate Similarity NPD4755 Approved
0.8276 Intermediate Similarity NPD6054 Approved
0.8276 Intermediate Similarity NPD6319 Approved
0.8273 Intermediate Similarity NPD6899 Approved
0.8273 Intermediate Similarity NPD6881 Approved
0.8257 Intermediate Similarity NPD7128 Approved
0.8257 Intermediate Similarity NPD6675 Approved
0.8257 Intermediate Similarity NPD6402 Approved
0.8257 Intermediate Similarity NPD5739 Approved
0.8214 Intermediate Similarity NPD6649 Approved
0.8214 Intermediate Similarity NPD6650 Approved
0.8205 Intermediate Similarity NPD6015 Approved
0.8205 Intermediate Similarity NPD6016 Approved
0.8198 Intermediate Similarity NPD6012 Approved
0.8198 Intermediate Similarity NPD6372 Approved
0.8198 Intermediate Similarity NPD6373 Approved
0.8198 Intermediate Similarity NPD6014 Approved
0.8198 Intermediate Similarity NPD6013 Approved
0.8182 Intermediate Similarity NPD5701 Approved
0.8148 Intermediate Similarity NPD5224 Approved
0.8148 Intermediate Similarity NPD5226 Approved
0.8148 Intermediate Similarity NPD5225 Approved
0.8148 Intermediate Similarity NPD4633 Approved
0.8148 Intermediate Similarity NPD5211 Phase 2
0.8136 Intermediate Similarity NPD5988 Approved
0.8136 Intermediate Similarity NPD6370 Approved
0.8131 Intermediate Similarity NPD4700 Approved
0.8125 Intermediate Similarity NPD7290 Approved
0.8125 Intermediate Similarity NPD7102 Approved
0.8125 Intermediate Similarity NPD6883 Approved
0.812 Intermediate Similarity NPD6059 Approved
0.8108 Intermediate Similarity NPD6011 Approved
0.8108 Intermediate Similarity NPD7320 Approved
0.8095 Intermediate Similarity NPD5695 Phase 3
0.8073 Intermediate Similarity NPD5175 Approved
0.8073 Intermediate Similarity NPD5174 Approved
0.8056 Intermediate Similarity NPD5223 Approved
0.8053 Intermediate Similarity NPD8130 Phase 1
0.8053 Intermediate Similarity NPD6617 Approved
0.8053 Intermediate Similarity NPD6869 Approved
0.8053 Intermediate Similarity NPD6847 Approved
0.8 Intermediate Similarity NPD7492 Approved
0.8 Intermediate Similarity NPD5141 Approved
0.7982 Intermediate Similarity NPD8297 Approved
0.7982 Intermediate Similarity NPD6882 Approved
0.7961 Intermediate Similarity NPD4753 Phase 2
0.7944 Intermediate Similarity NPD6084 Phase 2
0.7944 Intermediate Similarity NPD6083 Phase 2
0.7934 Intermediate Similarity NPD6616 Approved
0.7928 Intermediate Similarity NPD6008 Approved
0.7925 Intermediate Similarity NPD4629 Approved
0.7925 Intermediate Similarity NPD5210 Approved
0.7913 Intermediate Similarity NPD4632 Approved
0.7905 Intermediate Similarity NPD4202 Approved
0.787 Intermediate Similarity NPD5696 Approved
0.7869 Intermediate Similarity NPD7078 Approved
0.7863 Intermediate Similarity NPD6009 Approved
0.7843 Intermediate Similarity NPD5280 Approved
0.7843 Intermediate Similarity NPD4694 Approved
0.7843 Intermediate Similarity NPD5279 Phase 3
0.781 Intermediate Similarity NPD5284 Approved
0.781 Intermediate Similarity NPD5281 Approved
0.781 Intermediate Similarity NPD5694 Approved
0.7805 Intermediate Similarity NPD7736 Approved
0.7788 Intermediate Similarity NPD4730 Approved
0.7788 Intermediate Similarity NPD4729 Approved
0.7769 Intermediate Similarity NPD7604 Phase 2
0.7768 Intermediate Similarity NPD4768 Approved
0.7768 Intermediate Similarity NPD4767 Approved
0.775 Intermediate Similarity NPD5983 Phase 2
0.7748 Intermediate Similarity NPD4754 Approved
0.7739 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD8293 Discontinued
0.7714 Intermediate Similarity NPD5692 Phase 3
0.7685 Intermediate Similarity NPD4697 Phase 3
0.7685 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7685 Intermediate Similarity NPD5221 Approved
0.7685 Intermediate Similarity NPD5222 Approved
0.767 Intermediate Similarity NPD5690 Phase 2
0.767 Intermediate Similarity NPD3618 Phase 1
0.7652 Intermediate Similarity NPD5248 Approved
0.7652 Intermediate Similarity NPD5247 Approved
0.7652 Intermediate Similarity NPD5251 Approved
0.7652 Intermediate Similarity NPD5250 Approved
0.7652 Intermediate Similarity NPD5249 Phase 3
0.7642 Intermediate Similarity NPD6050 Approved
0.7632 Intermediate Similarity NPD5128 Approved
0.7627 Intermediate Similarity NPD6274 Approved
0.7615 Intermediate Similarity NPD5173 Approved
0.7586 Intermediate Similarity NPD5217 Approved
0.7586 Intermediate Similarity NPD5216 Approved
0.7586 Intermediate Similarity NPD5215 Approved
0.7583 Intermediate Similarity NPD7101 Approved
0.7583 Intermediate Similarity NPD7100 Approved
0.7563 Intermediate Similarity NPD6317 Approved
0.7563 Intermediate Similarity NPD7115 Discovery
0.752 Intermediate Similarity NPD6033 Approved
0.75 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6313 Approved
0.75 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6336 Discontinued
0.75 Intermediate Similarity NPD6335 Approved
0.75 Intermediate Similarity NPD5169 Approved
0.75 Intermediate Similarity NPD6314 Approved
0.75 Intermediate Similarity NPD5135 Approved
0.7477 Intermediate Similarity NPD6079 Approved
0.7476 Intermediate Similarity NPD3666 Approved
0.7476 Intermediate Similarity NPD4197 Approved
0.7476 Intermediate Similarity NPD3665 Phase 1
0.7476 Intermediate Similarity NPD3133 Approved
0.7453 Intermediate Similarity NPD5328 Approved
0.7436 Intermediate Similarity NPD5127 Approved
0.7407 Intermediate Similarity NPD5133 Approved
0.7404 Intermediate Similarity NPD5329 Approved
0.7391 Intermediate Similarity NPD6412 Phase 2
0.7383 Intermediate Similarity NPD5207 Approved
0.7339 Intermediate Similarity NPD5282 Discontinued
0.7317 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD6908 Approved
0.7317 Intermediate Similarity NPD6909 Approved
0.7297 Intermediate Similarity NPD5959 Approved
0.7295 Intermediate Similarity NPD4522 Approved
0.729 Intermediate Similarity NPD6904 Approved
0.729 Intermediate Similarity NPD6673 Approved
0.729 Intermediate Similarity NPD6080 Approved
0.7282 Intermediate Similarity NPD4221 Approved
0.7282 Intermediate Similarity NPD4223 Phase 3
0.7273 Intermediate Similarity NPD5654 Approved
0.7273 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD5956 Approved
0.725 Intermediate Similarity NPD5167 Approved
0.7248 Intermediate Similarity NPD6399 Phase 3
0.7232 Intermediate Similarity NPD7638 Approved
0.7196 Intermediate Similarity NPD6672 Approved
0.7196 Intermediate Similarity NPD5737 Approved
0.7168 Intermediate Similarity NPD7640 Approved
0.7168 Intermediate Similarity NPD7639 Approved
0.7156 Intermediate Similarity NPD5693 Phase 1
0.7143 Intermediate Similarity NPD4786 Approved
0.7115 Intermediate Similarity NPD3667 Approved
0.7064 Intermediate Similarity NPD4096 Approved
0.7063 Intermediate Similarity NPD8328 Phase 3
0.7049 Intermediate Similarity NPD6868 Approved
0.7037 Intermediate Similarity NPD4518 Approved
0.7034 Intermediate Similarity NPD5168 Approved
0.7027 Intermediate Similarity NPD6001 Approved
0.7015 Intermediate Similarity NPD6333 Approved
0.7015 Intermediate Similarity NPD6334 Approved
0.7009 Intermediate Similarity NPD5205 Approved
0.7009 Intermediate Similarity NPD5330 Approved
0.7009 Intermediate Similarity NPD4688 Approved
0.7009 Intermediate Similarity NPD4689 Approved
0.7009 Intermediate Similarity NPD6098 Approved
0.7009 Intermediate Similarity NPD7334 Approved
0.7009 Intermediate Similarity NPD6684 Approved
0.7009 Intermediate Similarity NPD7146 Approved
0.7009 Intermediate Similarity NPD4690 Approved
0.7009 Intermediate Similarity NPD4693 Phase 3
0.7009 Intermediate Similarity NPD7521 Approved
0.7009 Intermediate Similarity NPD4138 Approved
0.7009 Intermediate Similarity NPD6409 Approved
0.7 Intermediate Similarity NPD6411 Approved
0.6991 Remote Similarity NPD7902 Approved
0.6975 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7319 Approved
0.6917 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6897 Remote Similarity NPD5091 Approved
0.6891 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6881 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6881 Remote Similarity NPD6903 Approved
0.6875 Remote Similarity NPD7748 Approved
0.6847 Remote Similarity NPD7515 Phase 2
0.6827 Remote Similarity NPD4195 Approved
0.6822 Remote Similarity NPD7507 Approved
0.6818 Remote Similarity NPD6101 Approved
0.6818 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6803 Remote Similarity NPD6053 Discontinued
0.6797 Remote Similarity NPD6067 Discontinued
0.6786 Remote Similarity NPD5779 Approved
0.6786 Remote Similarity NPD5778 Approved
0.6772 Remote Similarity NPD7503 Approved
0.6762 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6762 Remote Similarity NPD7525 Registered
0.6731 Remote Similarity NPD3617 Approved
0.6729 Remote Similarity NPD4788 Approved
0.6727 Remote Similarity NPD5208 Approved
0.6726 Remote Similarity NPD7900 Approved
0.6726 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6698 Remote Similarity NPD4692 Approved
0.6698 Remote Similarity NPD4139 Approved
0.6696 Remote Similarity NPD8035 Phase 2
0.6696 Remote Similarity NPD7637 Suspended
0.6696 Remote Similarity NPD8034 Phase 2
0.6667 Remote Similarity NPD4687 Approved
0.6667 Remote Similarity NPD7338 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   16104853
ChEMBL   CHEMBL219399
ZINC  

Physicochemical Properties

Molecular Weight:  342.18
ALogP:  0.1654
MLogP:  3.33
XLogP:  1.453
# Rotatable Bonds:  5
Polar Surface Area:  66.9
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  25

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs