Natural Product: NPC112274

Natural Product ID:  NPC112274
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C38H58O12
Standard InCHIKey:  URTQATADKAKTAX-RFJPXPNDSA-N
Standard InCHI:  InChI=1S/C38H58O12/c1-17-8-11-38(46-15-17)18(2)28-26(50-38)14-24-22-7-6-20-12-21(39)13-27(37(20,5)23(22)9-10-36(24,28)4)48-35-33(30(42)25(40)16-45-35)49-34-32(44)31(43)29(41)19(3)47-34/h6,18-19,21-35,39-44H,1,7-16H2,2-5H3/t18-,19-,21+,22+,23-,24-,25-,26-,27+,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+/m0/s1
Canonical SMILES:  O[C@H]1C[C@@H](O[C@@H]2OC[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)O)[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]3[C@@H]2[C@H](C)[C@]2(O3)CCC(=C)CO2)C)C1)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
NPO24150 Baptisia lecontii Species Fabaceae Eukaryota UNPD*
NPO25210 Fulmarus glacialis Species Procellariidae Eukaryota UNPD*
NPO25729 Centaurea aemulans Species Asteraceae Eukaryota UNPD*
NPO23463 Basanacantha spinosa NA NA NA UNPD*
NPO27000 Geranium macrorrhizum Species Geraniaceae Eukaryota UNPD*
NPO25783 Tulipa silvestris Species Liliaceae Eukaryota UNPD*
NPO26793 Trichia carnea Species Trichiidae Eukaryota UNPD*
NPO26222 Gonepteryx rhamni Species Pieridae Eukaryota UNPD*
NPO26467 Nipaecoccus aurilanatus Species Pseudococcidae Eukaryota UNPD*
NPO27027 Renilla muelleri Species Renillidae Eukaryota UNPD*
NPO29139 Agave huachucensis Species Asparagaceae Eukaryota UNPD*
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota UNPD*
NPO26577 Clinostemon mahuba NA NA NA UNPD*
NPO25265 Sophora secundiflora Species Fabaceae Eukaryota UNPD*
NPO27053 Maclura aurantiaca Species Moraceae Eukaryota UNPD*
NPO25843 Solanum chacoense Species Solanaceae Eukaryota UNPD*
NPO24509 Randia longispina Species Rubiaceae Eukaryota UNPD*
NPO26300 Penianthus zenkeri Species Menispermaceae Eukaryota UNPD*
NPO4323 Morinda citrifolia Species Rubiaceae Eukaryota UNPD*
NPO23570 Hypolaena fastigiata Species Restionaceae Eukaryota UNPD*
NPO26489 Arthrobacter viscosus Species Rhizobiaceae Bacteria UNPD*
NPO26862 Pentaceraster alveolatus Species Oreasteridae Eukaryota UNPD*
NPO26683 Dichomitus squalens Species Polyporaceae Eukaryota UNPD*
NPO18404 Clarkia unguiculata Species Onagraceae Eukaryota UNPD*
NPO26427 Heterocapsa triquetra Species Heterocapsaceae Eukaryota UNPD*
NPO25438 Xiphophora gladiata Species Fucaceae Eukaryota UNPD*
NPO25808 Fritillaria taipaiensis Species Liliaceae Eukaryota UNPD*
NPO24757 Meryta denhamii Species Araliaceae Eukaryota UNPD*
NPO26915 Erinus alpinus Species Plantaginaceae Eukaryota UNPD*
NPO26956 Crambe crambe Species Esperiopsidae Eukaryota UNPD*
NPO26106 Lactarius pubescens Species Russulaceae Eukaryota UNPD*
NPO20000 Adina rubescens Species Rubiaceae Eukaryota UNPD*
NPO26020 Dahlstedtia pinnata Species Fabaceae Eukaryota UNPD*
NPO23068 Guettarda eximia Species Rubiaceae Eukaryota UNPD*
NPO26361 Annona cherimolia Species Annonaceae Eukaryota UNPD*
NPO26693 Daphne papyracea Species Thymelaeaceae Eukaryota UNPD*
NPO8452 Dracaena angustifolia Species Asparagaceae Eukaryota roots and rhizomes PMID[11575942]
NPO26444 Mimosa invisa Species Fabaceae Eukaryota UNPD*
NPO26843 Heliconius cydno Species Nymphalidae Eukaryota UNPD*
NPO25025 Gypothamnium pinifolium Species Asteraceae Eukaryota UNPD*
NPO9613 Anisomeles indica Species Lamiaceae Eukaryota UNPD*
NPO26173 Anomospermum grandifolium Species Menispermaceae Eukaryota UNPD*
NPO24883 Angiopteris caudatiformis Species Marattiaceae Eukaryota UNPD*
NPO12552 Aloe indica Species Asphodelaceae Eukaryota UNPD*
NPO24594 Polypodium hastatum Species Polypodiidae Eukaryota UNPD*
NPO26550 Ruscus aculeatus Species Asparagaceae Eukaryota UNPD*
NPO24375 Micrococcus luteus Species Micrococcaceae Bacteria UNPD*
NPO25592 Pedicularis densispica Species Orobanchaceae Eukaryota UNPD*
NPO27038 Senecio macrophyllus Species Asteraceae Eukaryota UNPD*
NPO2096 Stenostomum acutatum Species Rubiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 95300 nM 11575942
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 42100 nM 11575942
NPT2 Others Unspecified IC50 = 41200 nM 11575942

  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 NPC112274 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
0.9904 High Similarity NPC51154
0.9903 High Similarity NPC13190
0.981 High Similarity NPC11548
0.9717 High Similarity NPC477029
0.9717 High Similarity NPC477030
0.9709 High Similarity NPC477026
0.9709 High Similarity NPC475670
0.9709 High Similarity NPC306131
0.9709 High Similarity NPC70204
0.9709 High Similarity NPC477027
0.9619 High Similarity NPC42171
0.9612 High Similarity NPC476539
0.9612 High Similarity NPC476540
0.9612 High Similarity NPC476538
0.9612 High Similarity NPC476541
0.9537 High Similarity NPC160888
0.9537 High Similarity NPC475403
0.9533 High Similarity NPC148965
0.9524 High Similarity NPC475247
0.9524 High Similarity NPC294129
0.9515 High Similarity NPC470432
0.9515 High Similarity NPC305423
0.9515 High Similarity NPC230507
0.9515 High Similarity NPC14704
0.9515 High Similarity NPC161676
0.9515 High Similarity NPC283829
0.9515 High Similarity NPC113044
0.945 High Similarity NPC473633
0.945 High Similarity NPC476085
0.945 High Similarity NPC229962
0.945 High Similarity NPC195560
0.9429 High Similarity NPC141433
0.9423 High Similarity NPC98696
0.9417 High Similarity NPC473923
0.9417 High Similarity NPC181845
0.9417 High Similarity NPC473476
0.9364 High Similarity NPC50689
0.9364 High Similarity NPC207243
0.9364 High Similarity NPC198325
0.9364 High Similarity NPC233391
0.934 High Similarity NPC197231
0.9333 High Similarity NPC194207
0.9333 High Similarity NPC477809
0.9333 High Similarity NPC300557
0.9333 High Similarity NPC73243
0.9333 High Similarity NPC208383
0.9333 High Similarity NPC475550
0.9333 High Similarity NPC84956
0.9333 High Similarity NPC309278
0.9333 High Similarity NPC250089
0.9333 High Similarity NPC14630
0.9333 High Similarity NPC249265
0.9333 High Similarity NPC244086
0.9333 High Similarity NPC102016
0.9333 High Similarity NPC46190
0.9333 High Similarity NPC232054
0.9333 High Similarity NPC6806
0.9333 High Similarity NPC475333
0.9333 High Similarity NPC95051
0.9333 High Similarity NPC150372
0.9333 High Similarity NPC248746
0.9333 High Similarity NPC171073
0.9333 High Similarity NPC40440
0.9333 High Similarity NPC22779
0.9333 High Similarity NPC218571
0.9333 High Similarity NPC42482
0.9333 High Similarity NPC470433
0.9333 High Similarity NPC224098
0.9333 High Similarity NPC157530
0.9327 High Similarity NPC226642
0.9252 High Similarity NPC19888
0.9245 High Similarity NPC247037
0.9245 High Similarity NPC87998
0.9245 High Similarity NPC477811
0.9245 High Similarity NPC23808
0.9245 High Similarity NPC269297
0.9245 High Similarity NPC224314
0.9245 High Similarity NPC222202
0.9231 High Similarity NPC242748
0.9196 High Similarity NPC43842
0.9174 High Similarity NPC63609
0.9167 High Similarity NPC469348
0.9167 High Similarity NPC469347
0.9159 High Similarity NPC477032
0.9159 High Similarity NPC476547
0.9159 High Similarity NPC124677
0.9159 High Similarity NPC477028
0.9159 High Similarity NPC13193
0.9143 High Similarity NPC473469
0.9143 High Similarity NPC94272
0.9135 High Similarity NPC93352
0.9115 High Similarity NPC202261
0.9115 High Similarity NPC295133
0.9115 High Similarity NPC106589
0.9115 High Similarity NPC257207
0.9091 High Similarity NPC20979
0.9091 High Similarity NPC476690
0.9091 High Similarity NPC100048
0.9091 High Similarity NPC477807
0.9083 High Similarity NPC477810
0.9074 High Similarity NPC31896
0.9074 High Similarity NPC244431
0.9074 High Similarity NPC32361
0.9074 High Similarity NPC210569
0.9074 High Similarity NPC254255
0.9074 High Similarity NPC263359
0.9065 High Similarity NPC170974
0.9065 High Similarity NPC191439
0.9065 High Similarity NPC103627
0.9048 High Similarity NPC309448
0.9048 High Similarity NPC474569
0.9029 High Similarity NPC176406
0.9009 High Similarity NPC10366
0.8991 High Similarity NPC79900
0.8991 High Similarity NPC476693
0.8972 High Similarity NPC473318
0.8972 High Similarity NPC28844
0.8972 High Similarity NPC476835
0.8972 High Similarity NPC128133
0.8972 High Similarity NPC473328
0.8962 High Similarity NPC54619
0.8962 High Similarity NPC190395
0.8962 High Similarity NPC33053
0.8952 High Similarity NPC221562
0.8952 High Similarity NPC470885
0.8952 High Similarity NPC187400
0.8942 High Similarity NPC272015
0.8909 High Similarity NPC477808
0.8909 High Similarity NPC32707
0.8909 High Similarity NPC167183
0.8899 High Similarity NPC473567
0.8899 High Similarity NPC231797
0.8899 High Similarity NPC216595
0.8899 High Similarity NPC308140
0.8889 High Similarity NPC65155
0.8879 High Similarity NPC476513
0.8879 High Similarity NPC7213
0.8879 High Similarity NPC295980
0.8879 High Similarity NPC125324
0.8879 High Similarity NPC51172
0.8879 High Similarity NPC220427
0.8879 High Similarity NPC49032
0.8868 High Similarity NPC26798
0.8839 High Similarity NPC475357
0.8829 High Similarity NPC477031
0.8818 High Similarity NPC476546
0.8818 High Similarity NPC144068
0.8818 High Similarity NPC307642
0.8807 High Similarity NPC208189
0.8807 High Similarity NPC114188
0.8807 High Similarity NPC473021
0.8807 High Similarity NPC472987
0.8807 High Similarity NPC470748
0.8807 High Similarity NPC65034
0.8796 High Similarity NPC302057
0.8796 High Similarity NPC151134
0.8774 High Similarity NPC475365
0.8774 High Similarity NPC75608
0.8772 High Similarity NPC314535
0.8772 High Similarity NPC173555
0.8762 High Similarity NPC288694
0.8762 High Similarity NPC159036
0.8762 High Similarity NPC312553
0.875 High Similarity NPC282669
0.8739 High Similarity NPC208832
0.8738 High Similarity NPC473890
0.8738 High Similarity NPC177818
0.8738 High Similarity NPC243728
0.8716 High Similarity NPC470867
0.8696 High Similarity NPC193893
0.8692 High Similarity NPC152584
0.8692 High Similarity NPC269627
0.8692 High Similarity NPC160816
0.8692 High Similarity NPC208477
0.8692 High Similarity NPC194842
0.8692 High Similarity NPC127801
0.8692 High Similarity NPC208594
0.8692 High Similarity NPC69737
0.8692 High Similarity NPC474015
0.8684 High Similarity NPC107607
0.8684 High Similarity NPC72260
0.8684 High Similarity NPC475556
0.8684 High Similarity NPC475629
0.8679 High Similarity NPC286969
0.8679 High Similarity NPC120123
0.8679 High Similarity NPC131479
0.8679 High Similarity NPC155010
0.8679 High Similarity NPC31907
0.8679 High Similarity NPC472252
0.8679 High Similarity NPC473198
0.8679 High Similarity NPC211879
0.8679 High Similarity NPC157659
0.8679 High Similarity NPC16573
0.8679 High Similarity NPC473020
0.8679 High Similarity NPC245280
0.8679 High Similarity NPC16520
0.8679 High Similarity NPC213190
0.8679 High Similarity NPC189852
0.8679 High Similarity NPC8039
0.8679 High Similarity NPC475701

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC112274 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
0.8772 High Similarity NPD8335 Approved
0.8772 High Similarity NPD8378 Approved
0.8772 High Similarity NPD8296 Approved
0.8772 High Similarity NPD8379 Approved
0.8772 High Similarity NPD8380 Approved
0.8684 High Similarity NPD8377 Approved
0.8684 High Similarity NPD8294 Approved
0.8609 High Similarity NPD8033 Approved
0.8348 Intermediate Similarity NPD7327 Approved
0.8348 Intermediate Similarity NPD7328 Approved
0.8276 Intermediate Similarity NPD7516 Approved
0.8 Intermediate Similarity NPD8171 Discontinued
0.7983 Intermediate Similarity NPD7503 Approved
0.7845 Intermediate Similarity NPD8133 Approved
0.7788 Intermediate Similarity NPD6412 Phase 2
0.7778 Intermediate Similarity NPD8449 Approved
0.7724 Intermediate Similarity NPD7507 Approved
0.7717 Intermediate Similarity NPD8450 Suspended
0.768 Intermediate Similarity NPD7319 Approved
0.7304 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD6686 Approved
0.7203 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD6370 Approved
0.7188 Intermediate Similarity NPD7736 Approved
0.712 Intermediate Similarity NPD8517 Approved
0.712 Intermediate Similarity NPD8513 Phase 3
0.712 Intermediate Similarity NPD8516 Approved
0.712 Intermediate Similarity NPD8515 Approved
0.7109 Intermediate Similarity NPD8293 Discontinued
0.7073 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD6059 Approved
0.704 Intermediate Similarity NPD6054 Approved
0.7037 Intermediate Similarity NPD7524 Approved
0.7008 Intermediate Similarity NPD8328 Phase 3
0.6916 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6067 Discontinued
0.687 Remote Similarity NPD7638 Approved
0.6857 Remote Similarity NPD6928 Phase 2
0.685 Remote Similarity NPD6016 Approved
0.685 Remote Similarity NPD6015 Approved
0.6822 Remote Similarity NPD7492 Approved
0.6822 Remote Similarity NPD6695 Phase 3
0.681 Remote Similarity NPD7639 Approved
0.681 Remote Similarity NPD7640 Approved
0.6809 Remote Similarity NPD7625 Phase 1
0.6803 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6797 Remote Similarity NPD5988 Approved
0.6796 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6769 Remote Similarity NPD6616 Approved
0.6727 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6727 Remote Similarity NPD7750 Discontinued
0.6718 Remote Similarity NPD7078 Approved
0.6699 Remote Similarity NPD7339 Approved
0.6699 Remote Similarity NPD6942 Approved
0.6698 Remote Similarity NPD7525 Registered
0.6613 Remote Similarity NPD8297 Approved
0.6613 Remote Similarity NPD6882 Approved
0.661 Remote Similarity NPD4159 Approved
0.6604 Remote Similarity NPD6929 Approved
0.6604 Remote Similarity NPD7645 Phase 2
0.6542 Remote Similarity NPD6930 Phase 2
0.6542 Remote Similarity NPD6931 Approved
0.6541 Remote Similarity NPD6033 Approved
0.6535 Remote Similarity NPD6009 Approved
0.6535 Remote Similarity NPD7115 Discovery
0.6512 Remote Similarity NPD6319 Approved
0.646 Remote Similarity NPD6051 Approved
0.6441 Remote Similarity NPD4225 Approved
0.6435 Remote Similarity NPD6399 Phase 3
0.6429 Remote Similarity NPD4632 Approved
0.6423 Remote Similarity NPD7320 Approved
0.6415 Remote Similarity NPD6925 Approved
0.6415 Remote Similarity NPD5776 Phase 2
0.6393 Remote Similarity NPD6008 Approved
0.6393 Remote Similarity NPD6675 Approved
0.6393 Remote Similarity NPD7128 Approved
0.6393 Remote Similarity NPD6402 Approved
0.6393 Remote Similarity NPD5739 Approved
0.6371 Remote Similarity NPD6373 Approved
0.6371 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6371 Remote Similarity NPD6372 Approved
0.6355 Remote Similarity NPD7145 Approved
0.6349 Remote Similarity NPD6053 Discontinued
0.6348 Remote Similarity NPD7087 Discontinued
0.6321 Remote Similarity NPD6933 Approved
0.6306 Remote Similarity NPD4786 Approved
0.629 Remote Similarity NPD6899 Approved
0.629 Remote Similarity NPD6881 Approved
0.6286 Remote Similarity NPD4785 Approved
0.6286 Remote Similarity NPD4784 Approved
0.6281 Remote Similarity NPD7632 Discontinued
0.627 Remote Similarity NPD6649 Approved
0.627 Remote Similarity NPD8130 Phase 1
0.627 Remote Similarity NPD6650 Approved
0.6262 Remote Similarity NPD6932 Approved
0.625 Remote Similarity NPD4243 Approved
0.625 Remote Similarity NPD6893 Approved
0.6239 Remote Similarity NPD7514 Phase 3
0.6222 Remote Similarity NPD8074 Phase 3
0.6218 Remote Similarity NPD6083 Phase 2
0.6218 Remote Similarity NPD6084 Phase 2
0.6218 Remote Similarity NPD4755 Approved
0.621 Remote Similarity NPD5697 Approved
0.621 Remote Similarity NPD5701 Approved
0.6207 Remote Similarity NPD7637 Suspended
0.6204 Remote Similarity NPD5956 Approved
0.6198 Remote Similarity NPD5344 Discontinued
0.619 Remote Similarity NPD5955 Clinical (unspecified phase)
0.619 Remote Similarity NPD4634 Approved
0.619 Remote Similarity NPD7290 Approved
0.619 Remote Similarity NPD6883 Approved
0.619 Remote Similarity NPD7102 Approved
0.6186 Remote Similarity NPD7991 Discontinued
0.6182 Remote Similarity NPD6902 Approved
0.6167 Remote Similarity NPD8029 Clinical (unspecified phase)
0.616 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6154 Remote Similarity NPD4202 Approved
0.6148 Remote Similarity NPD5211 Phase 2
0.6147 Remote Similarity NPD6683 Phase 2
0.6142 Remote Similarity NPD6617 Approved
0.6142 Remote Similarity NPD6869 Approved
0.6142 Remote Similarity NPD6847 Approved
0.6132 Remote Similarity NPD6924 Approved
0.6132 Remote Similarity NPD6926 Approved
0.6129 Remote Similarity NPD6640 Phase 3
0.6126 Remote Similarity NPD3667 Approved
0.6119 Remote Similarity NPD7604 Phase 2
0.6116 Remote Similarity NPD4700 Approved
0.6116 Remote Similarity NPD5286 Approved
0.6116 Remote Similarity NPD5285 Approved
0.6116 Remote Similarity NPD4696 Approved
0.6111 Remote Similarity NPD6014 Approved
0.6111 Remote Similarity NPD6013 Approved
0.6111 Remote Similarity NPD6012 Approved
0.6102 Remote Similarity NPD7748 Approved
0.6091 Remote Similarity NPD7332 Phase 2
0.6091 Remote Similarity NPD4748 Discontinued
0.609 Remote Similarity NPD5983 Phase 2
0.6083 Remote Similarity NPD7902 Approved
0.608 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6068 Remote Similarity NPD8034 Phase 2
0.6068 Remote Similarity NPD8035 Phase 2
0.6048 Remote Similarity NPD5141 Approved
0.6045 Remote Similarity NPD5126 Approved
0.6045 Remote Similarity NPD5125 Phase 3
0.6036 Remote Similarity NPD6898 Phase 1
0.6034 Remote Similarity NPD4753 Phase 2
0.6034 Remote Similarity NPD5328 Approved
0.6032 Remote Similarity NPD6011 Approved
0.6029 Remote Similarity NPD6336 Discontinued
0.6018 Remote Similarity NPD3665 Phase 1
0.6018 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6018 Remote Similarity NPD3133 Approved
0.6018 Remote Similarity NPD3666 Approved
0.6016 Remote Similarity NPD5225 Approved
0.6016 Remote Similarity NPD5226 Approved
0.6016 Remote Similarity NPD4633 Approved
0.6016 Remote Similarity NPD5224 Approved
0.6016 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6 Remote Similarity NPD4767 Approved
0.6 Remote Similarity NPD4768 Approved
0.5983 Remote Similarity NPD46 Approved
0.5983 Remote Similarity NPD7838 Discovery
0.5983 Remote Similarity NPD6698 Approved
0.5983 Remote Similarity NPD3168 Discontinued
0.5968 Remote Similarity NPD5175 Approved
0.5968 Remote Similarity NPD5174 Approved
0.5952 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5951 Remote Similarity NPD7799 Discontinued
0.5948 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5948 Remote Similarity NPD6903 Approved
0.5943 Remote Similarity NPD7150 Approved
0.5943 Remote Similarity NPD7151 Approved
0.5943 Remote Similarity NPD7152 Approved
0.5942 Remote Similarity NPD8337 Approved
0.5942 Remote Similarity NPD8336 Approved
0.5935 Remote Similarity NPD5223 Approved
0.5932 Remote Similarity NPD6079 Approved
0.5932 Remote Similarity NPD7515 Phase 2
0.5926 Remote Similarity NPD5275 Approved
0.5926 Remote Similarity NPD4190 Phase 3
0.5917 Remote Similarity NPD5695 Phase 3
0.5917 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5913 Remote Similarity NPD5330 Approved
0.5913 Remote Similarity NPD3618 Phase 1
0.5913 Remote Similarity NPD7521 Approved
0.5913 Remote Similarity NPD7146 Approved
0.5913 Remote Similarity NPD6409 Approved
0.5913 Remote Similarity NPD6684 Approved
0.5913 Remote Similarity NPD7334 Approved
0.5906 Remote Similarity NPD4729 Approved
0.5906 Remote Similarity NPD4730 Approved
0.5905 Remote Similarity NPD6923 Approved
0.5905 Remote Similarity NPD6922 Approved
0.5902 Remote Similarity NPD5696 Approved
0.5896 Remote Similarity NPD7741 Discontinued
0.5862 Remote Similarity NPD4250 Approved
0.5862 Remote Similarity NPD4251 Approved
0.5856 Remote Similarity NPD4195 Approved
0.5854 Remote Similarity NPD6648 Approved

Structure

External Identifiers

PubChem CID   10462472
ChEMBL   CHEMBL450607
ZINC  

Physicochemical Properties

Molecular Weight:  706.39
ALogP:  -2.5938
MLogP:  4.32
XLogP:  1.962
# Rotatable Bonds:  14
Polar Surface Area:  176.76
# H-Bond Aceptor:  12
# H-Bond Donor:  6
# Rings:  8
# Heavy Atoms:  50

Download Data

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