Natural Product: NPC471108

Natural Product ID:  NPC471108
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C36H56O8
Standard InCHIKey:  PHEDXBVPIONUQT-AFPOFPRFSA-N
Standard InCHI:  InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34+,35-,36-/m1/s1
Canonical SMILES:  CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H](C3[C@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO
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
NPO19424 Trigonostemon howii Species Euphorbiaceae Eukaryota PMID[23215460]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 15003 nM 19739600
NPT1098 Individual Protein Eyes absent homolog 2 Homo sapiens Potency 100000 nM 26636180
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = -0.91 % 20303767
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 2238.7 nM 23398362
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 756.9 nM 22694318
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 7943.3 nM 15006398
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 12.9 % 17095216
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 16360.1 nM 9358645
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 5972.8 nM 22283451
NPT2 Others Unspecified Potency 92.7 nM 17887724
NPT2 Others Unspecified Potency 18348.9 nM 19191549
NPT940 Individual Protein Serine/threonine-protein kinase mTOR Homo sapiens Potency = 23280.9 nM 19371070
NPT940 Individual Protein Serine/threonine-protein kinase mTOR Homo sapiens Potency = 26121.6 nM 16124779
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 4.6 nM 23046382
NPT2 Others Unspecified Potency 51.7 nM 1453177
NPT332 Organism Human immunodeficiency virus type 2 (ISOLATE ROD) Human immunodeficiency virus type 2 (ISOLATE ROD) EC50 > 17000 nM 18183025
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 1191.7 nM 12617583
NPT888 Individual Protein 78 kDa glucose-regulated protein Homo sapiens Potency 36897.7 nM 26259802
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 > 18000 nM 2128517
NPT940 Individual Protein Serine/threonine-protein kinase mTOR Homo sapiens Potency = 23280.9 nM 16989536
NPT2 Others Unspecified EC50 = 2800 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Potency 6510.4 nM 19075048
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 22387.2 nM 24946216
NPT189 Cell Line Vero Chlorocebus aethiops CC50 = 5300 nM 16989516
NPT2 Others Unspecified Ratio CC50/EC50 = 1.9 19223615
NPT2 Others Unspecified EC50 = 2800 nM 10346943
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 4.1 nM 26110443
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 5972.8 nM 22037378
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 35481.3 nM 21666868
NPT940 Individual Protein Serine/threonine-protein kinase mTOR Homo sapiens Potency = 23280.9 nM 18063371
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 231.1 nM 17253859
NPT537 Individual Protein Ras-related protein Rab-9A Homo sapiens Potency = 63095.7 nM 541686
NPT2 Others Unspecified Ratio CC50/EC50 = 1.9 15043411
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 26679.5 nM 13678412
NPT538 Individual Protein Niemann-Pick C1 protein Homo sapiens Potency = 58047.9 nM 17844994

  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 NPC471108 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 NPC5989
1.0 High Similarity NPC22628
1.0 High Similarity NPC5991
1.0 High Similarity NPC275696
1.0 High Similarity NPC255081
0.9908 High Similarity NPC171905
0.9908 High Similarity NPC472397
0.9908 High Similarity NPC472758
0.9908 High Similarity NPC471125
0.982 High Similarity NPC52839
0.9732 High Similarity NPC19464
0.973 High Similarity NPC471128
0.973 High Similarity NPC471126
0.973 High Similarity NPC145182
0.973 High Similarity NPC157252
0.9643 High Similarity NPC472401
0.9636 High Similarity NPC156252
0.9561 High Similarity NPC145238
0.9558 High Similarity NPC162009
0.9558 High Similarity NPC257017
0.9541 High Similarity NPC472757
0.9474 High Similarity NPC472399
0.9459 High Similarity NPC10721
0.9455 High Similarity NPC472400
0.9369 High Similarity NPC471127
0.9369 High Similarity NPC154363
0.9369 High Similarity NPC234858
0.9358 High Similarity NPC475937
0.9358 High Similarity NPC158523
0.9286 High Similarity NPC153651
0.9279 High Similarity NPC474872
0.9266 High Similarity NPC153036
0.9211 High Similarity NPC472759
0.9211 High Similarity NPC329080
0.9211 High Similarity NPC185876
0.9211 High Similarity NPC19336
0.9204 High Similarity NPC124676
0.9204 High Similarity NPC146280
0.9189 High Similarity NPC71889
0.9189 High Similarity NPC474937
0.9123 High Similarity NPC236918
0.9123 High Similarity NPC180640
0.9123 High Similarity NPC156745
0.9099 High Similarity NPC215643
0.9099 High Similarity NPC89227
0.9099 High Similarity NPC101825
0.9099 High Similarity NPC170212
0.9099 High Similarity NPC151216
0.9099 High Similarity NPC265499
0.9099 High Similarity NPC221511
0.9099 High Similarity NPC17138
0.9099 High Similarity NPC475391
0.9043 High Similarity NPC475885
0.9035 High Similarity NPC472760
0.9018 High Similarity NPC477091
0.9009 High Similarity NPC260786
0.9009 High Similarity NPC174471
0.9009 High Similarity NPC474871
0.9009 High Similarity NPC96739
0.9 High Similarity NPC163004
0.8992 High Similarity NPC270109
0.8898 High Similarity NPC473919
0.8898 High Similarity NPC473709
0.8824 High Similarity NPC222307
0.8814 High Similarity NPC473802
0.875 High Similarity NPC471940
0.8678 High Similarity NPC236999
0.8667 High Similarity NPC471939
0.864 High Similarity NPC243902
0.8475 Intermediate Similarity NPC472667
0.8417 Intermediate Similarity NPC222688
0.8376 Intermediate Similarity NPC179626
0.8333 Intermediate Similarity NPC273433
0.832 Intermediate Similarity NPC90814
0.832 Intermediate Similarity NPC180902
0.832 Intermediate Similarity NPC475139
0.832 Intermediate Similarity NPC189393
0.8254 Intermediate Similarity NPC476111
0.825 Intermediate Similarity NPC143755
0.8235 Intermediate Similarity NPC251310
0.8189 Intermediate Similarity NPC100017
0.8189 Intermediate Similarity NPC476823
0.8189 Intermediate Similarity NPC182266
0.8189 Intermediate Similarity NPC471137
0.8189 Intermediate Similarity NPC475500
0.8189 Intermediate Similarity NPC223356
0.8189 Intermediate Similarity NPC473548
0.8189 Intermediate Similarity NPC471136
0.8189 Intermediate Similarity NPC475154
0.8182 Intermediate Similarity NPC310511
0.816 Intermediate Similarity NPC162495
0.8151 Intermediate Similarity NPC471854
0.8145 Intermediate Similarity NPC168849
0.8145 Intermediate Similarity NPC475273
0.8136 Intermediate Similarity NPC473798
0.812 Intermediate Similarity NPC472002
0.812 Intermediate Similarity NPC474516
0.811 Intermediate Similarity NPC469673
0.8095 Intermediate Similarity NPC196921
0.8095 Intermediate Similarity NPC220757
0.808 Intermediate Similarity NPC470850
0.807 Intermediate Similarity NPC60315
0.8067 Intermediate Similarity NPC96312
0.8067 Intermediate Similarity NPC474734
0.8067 Intermediate Similarity NPC470793
0.8067 Intermediate Similarity NPC40632
0.8067 Intermediate Similarity NPC328374
0.8067 Intermediate Similarity NPC270958
0.8067 Intermediate Similarity NPC251236
0.8065 Intermediate Similarity NPC217901
0.8065 Intermediate Similarity NPC15095
0.8062 Intermediate Similarity NPC68282
0.8053 Intermediate Similarity NPC475623
0.8053 Intermediate Similarity NPC473694
0.8053 Intermediate Similarity NPC475334
0.8051 Intermediate Similarity NPC49451
0.8051 Intermediate Similarity NPC477126
0.8051 Intermediate Similarity NPC202889
0.8051 Intermediate Similarity NPC108721
0.8051 Intermediate Similarity NPC73300
0.8051 Intermediate Similarity NPC962
0.8051 Intermediate Similarity NPC250109
0.8034 Intermediate Similarity NPC475668
0.8034 Intermediate Similarity NPC475480
0.8034 Intermediate Similarity NPC473921
0.8031 Intermediate Similarity NPC474508
0.8031 Intermediate Similarity NPC473485
0.8031 Intermediate Similarity NPC34963
0.8017 Intermediate Similarity NPC472933
0.8017 Intermediate Similarity NPC469380
0.8016 Intermediate Similarity NPC470851
0.8016 Intermediate Similarity NPC104382
0.8016 Intermediate Similarity NPC35109
0.8 Intermediate Similarity NPC122033
0.8 Intermediate Similarity NPC470854
0.8 Intermediate Similarity NPC143609
0.8 Intermediate Similarity NPC474654
0.8 Intermediate Similarity NPC67321
0.8 Intermediate Similarity NPC470882
0.8 Intermediate Similarity NPC470775
0.8 Intermediate Similarity NPC176513
0.8 Intermediate Similarity NPC97908
0.8 Intermediate Similarity NPC187435
0.8 Intermediate Similarity NPC287343
0.7982 Intermediate Similarity NPC181104
0.7982 Intermediate Similarity NPC201144
0.7982 Intermediate Similarity NPC475331
0.7982 Intermediate Similarity NPC288502
0.7982 Intermediate Similarity NPC121518
0.7982 Intermediate Similarity NPC103298
0.7982 Intermediate Similarity NPC80809
0.7982 Intermediate Similarity NPC475335
0.7969 Intermediate Similarity NPC58029
0.7966 Intermediate Similarity NPC280782
0.7966 Intermediate Similarity NPC71348
0.7966 Intermediate Similarity NPC317687
0.7966 Intermediate Similarity NPC234042
0.7966 Intermediate Similarity NPC152117
0.7953 Intermediate Similarity NPC251564
0.7953 Intermediate Similarity NPC241935
0.7953 Intermediate Similarity NPC475606
0.7953 Intermediate Similarity NPC471170
0.7953 Intermediate Similarity NPC477189
0.7953 Intermediate Similarity NPC279478
0.7953 Intermediate Similarity NPC475314
0.7951 Intermediate Similarity NPC4548
0.7951 Intermediate Similarity NPC472004
0.7951 Intermediate Similarity NPC112038
0.7951 Intermediate Similarity NPC109973
0.7949 Intermediate Similarity NPC257240
0.7949 Intermediate Similarity NPC477103
0.7949 Intermediate Similarity NPC5103
0.7949 Intermediate Similarity NPC475563
0.7949 Intermediate Similarity NPC475134
0.7946 Intermediate Similarity NPC470074
0.7934 Intermediate Similarity NPC257457
0.7934 Intermediate Similarity NPC118638
0.7934 Intermediate Similarity NPC311554
0.7931 Intermediate Similarity NPC29827
0.7931 Intermediate Similarity NPC476479
0.792 Intermediate Similarity NPC225049
0.792 Intermediate Similarity NPC473635
0.792 Intermediate Similarity NPC293112
0.7917 Intermediate Similarity NPC49492
0.7917 Intermediate Similarity NPC148458
0.7917 Intermediate Similarity NPC266728
0.7913 Intermediate Similarity NPC111952
0.7903 Intermediate Similarity NPC67251
0.7899 Intermediate Similarity NPC469463
0.7899 Intermediate Similarity NPC469454
0.7899 Intermediate Similarity NPC208998
0.7899 Intermediate Similarity NPC7921
0.7899 Intermediate Similarity NPC469496
0.7899 Intermediate Similarity NPC317210
0.7899 Intermediate Similarity NPC474271
0.7899 Intermediate Similarity NPC472926
0.7891 Intermediate Similarity NPC471855
0.7886 Intermediate Similarity NPC102822
0.7886 Intermediate Similarity NPC477046
0.7881 Intermediate Similarity NPC469655

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471108 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
0.7949 Intermediate Similarity NPD6371 Approved
0.7815 Intermediate Similarity NPD8297 Approved
0.7583 Intermediate Similarity NPD6649 Approved
0.7583 Intermediate Similarity NPD6650 Approved
0.7563 Intermediate Similarity NPD6373 Approved
0.7563 Intermediate Similarity NPD6372 Approved
0.752 Intermediate Similarity NPD6319 Approved
0.75 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD7604 Phase 2
0.7479 Intermediate Similarity NPD6881 Approved
0.7479 Intermediate Similarity NPD6899 Approved
0.7459 Intermediate Similarity NPD4632 Approved
0.7458 Intermediate Similarity NPD6675 Approved
0.7458 Intermediate Similarity NPD6402 Approved
0.7458 Intermediate Similarity NPD5739 Approved
0.7458 Intermediate Similarity NPD7128 Approved
0.7438 Intermediate Similarity NPD8130 Phase 1
0.7419 Intermediate Similarity NPD7115 Discovery
0.7417 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD5344 Discontinued
0.7395 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7395 Intermediate Similarity NPD5697 Approved
0.7377 Intermediate Similarity NPD6882 Approved
0.7355 Intermediate Similarity NPD7102 Approved
0.7355 Intermediate Similarity NPD7290 Approved
0.7355 Intermediate Similarity NPD6883 Approved
0.7333 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7320 Approved
0.7295 Intermediate Similarity NPD6847 Approved
0.7295 Intermediate Similarity NPD6617 Approved
0.7295 Intermediate Similarity NPD6869 Approved
0.7287 Intermediate Similarity NPD7492 Approved
0.728 Intermediate Similarity NPD6009 Approved
0.7273 Intermediate Similarity NPD6012 Approved
0.7273 Intermediate Similarity NPD6014 Approved
0.7273 Intermediate Similarity NPD6013 Approved
0.7252 Intermediate Similarity NPD7736 Approved
0.725 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD5701 Approved
0.7244 Intermediate Similarity NPD6054 Approved
0.7231 Intermediate Similarity NPD6616 Approved
0.7203 Intermediate Similarity NPD5211 Phase 2
0.719 Intermediate Similarity NPD6011 Approved
0.7188 Intermediate Similarity NPD5983 Phase 2
0.7179 Intermediate Similarity NPD7640 Approved
0.7179 Intermediate Similarity NPD7639 Approved
0.7179 Intermediate Similarity NPD6648 Approved
0.7176 Intermediate Similarity NPD8293 Discontinued
0.7176 Intermediate Similarity NPD7078 Approved
0.7167 Intermediate Similarity NPD6008 Approved
0.7132 Intermediate Similarity NPD6370 Approved
0.7109 Intermediate Similarity NPD6059 Approved
0.7099 Intermediate Similarity NPD7507 Approved
0.7099 Intermediate Similarity NPD6336 Discontinued
0.7094 Intermediate Similarity NPD4225 Approved
0.7094 Intermediate Similarity NPD7638 Approved
0.7083 Intermediate Similarity NPD5141 Approved
0.7077 Intermediate Similarity NPD8328 Phase 3
0.7068 Intermediate Similarity NPD7319 Approved
0.7054 Intermediate Similarity NPD6015 Approved
0.7054 Intermediate Similarity NPD6016 Approved
0.7049 Intermediate Similarity NPD6686 Approved
0.7034 Intermediate Similarity NPD4696 Approved
0.7034 Intermediate Similarity NPD5285 Approved
0.7034 Intermediate Similarity NPD5286 Approved
0.7031 Intermediate Similarity NPD7516 Approved
0.7016 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD4755 Approved
0.7009 Intermediate Similarity NPD6083 Phase 2
0.7009 Intermediate Similarity NPD6084 Phase 2
0.7 Intermediate Similarity NPD5988 Approved
0.6953 Remote Similarity NPD7328 Approved
0.6953 Remote Similarity NPD7327 Approved
0.6935 Remote Similarity NPD4634 Approved
0.693 Remote Similarity NPD6698 Approved
0.693 Remote Similarity NPD46 Approved
0.6929 Remote Similarity NPD6274 Approved
0.6917 Remote Similarity NPD5224 Approved
0.6917 Remote Similarity NPD5225 Approved
0.6917 Remote Similarity NPD5226 Approved
0.6917 Remote Similarity NPD4633 Approved
0.6899 Remote Similarity NPD7101 Approved
0.6899 Remote Similarity NPD7100 Approved
0.6891 Remote Similarity NPD4700 Approved
0.6864 Remote Similarity NPD7902 Approved
0.686 Remote Similarity NPD5175 Approved
0.686 Remote Similarity NPD5174 Approved
0.6855 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6838 Remote Similarity NPD5695 Phase 3
0.6833 Remote Similarity NPD5223 Approved
0.6825 Remote Similarity NPD6053 Discontinued
0.6822 Remote Similarity NPD6335 Approved
0.681 Remote Similarity NPD6399 Phase 3
0.6807 Remote Similarity NPD5696 Approved
0.6794 Remote Similarity NPD6921 Approved
0.6794 Remote Similarity NPD8296 Approved
0.6794 Remote Similarity NPD8380 Approved
0.6794 Remote Similarity NPD8379 Approved
0.6794 Remote Similarity NPD8033 Approved
0.6794 Remote Similarity NPD8378 Approved
0.6794 Remote Similarity NPD8335 Approved
0.6786 Remote Similarity NPD1696 Phase 3
0.6774 Remote Similarity NPD4730 Approved
0.6774 Remote Similarity NPD4729 Approved
0.6752 Remote Similarity NPD5282 Discontinued
0.6752 Remote Similarity NPD7748 Approved
0.6748 Remote Similarity NPD4768 Approved
0.6748 Remote Similarity NPD4767 Approved
0.6744 Remote Similarity NPD6317 Approved
0.6744 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6724 Remote Similarity NPD7983 Approved
0.6718 Remote Similarity NPD8377 Approved
0.6718 Remote Similarity NPD8294 Approved
0.6695 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6695 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6694 Remote Similarity NPD6412 Phase 2
0.6692 Remote Similarity NPD6314 Approved
0.6692 Remote Similarity NPD6313 Approved
0.6667 Remote Similarity NPD5248 Approved
0.6667 Remote Similarity NPD5251 Approved
0.6667 Remote Similarity NPD5247 Approved
0.6667 Remote Similarity NPD5250 Approved
0.6667 Remote Similarity NPD5249 Phase 3
0.6667 Remote Similarity NPD6909 Approved
0.6667 Remote Similarity NPD6908 Approved
0.6667 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6641 Remote Similarity NPD8133 Approved
0.664 Remote Similarity NPD5128 Approved
0.6639 Remote Similarity NPD7632 Discontinued
0.6639 Remote Similarity NPD5222 Approved
0.6639 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6639 Remote Similarity NPD5221 Approved
0.6639 Remote Similarity NPD4697 Phase 3
0.6638 Remote Similarity NPD7838 Discovery
0.6618 Remote Similarity NPD6033 Approved
0.6614 Remote Similarity NPD8413 Clinical (unspecified phase)
0.661 Remote Similarity NPD7901 Clinical (unspecified phase)
0.661 Remote Similarity NPD7900 Approved
0.6594 Remote Similarity NPD7260 Phase 2
0.6585 Remote Similarity NPD4754 Approved
0.6583 Remote Similarity NPD5173 Approved
0.6581 Remote Similarity NPD7515 Phase 2
0.6581 Remote Similarity NPD6079 Approved
0.6557 Remote Similarity NPD1700 Approved
0.6555 Remote Similarity NPD5210 Approved
0.6555 Remote Similarity NPD4629 Approved
0.6552 Remote Similarity NPD4753 Phase 2
0.6552 Remote Similarity NPD5328 Approved
0.6552 Remote Similarity NPD1695 Approved
0.6541 Remote Similarity NPD8517 Approved
0.6541 Remote Similarity NPD8513 Phase 3
0.6541 Remote Similarity NPD8515 Approved
0.6541 Remote Similarity NPD7503 Approved
0.6541 Remote Similarity NPD8516 Approved
0.6538 Remote Similarity NPD6868 Approved
0.6529 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6525 Remote Similarity NPD5778 Approved
0.6525 Remote Similarity NPD5779 Approved
0.6525 Remote Similarity NPD4202 Approved
0.6496 Remote Similarity NPD5785 Approved
0.6484 Remote Similarity NPD5215 Approved
0.6484 Remote Similarity NPD5216 Approved
0.6484 Remote Similarity NPD5217 Approved
0.6466 Remote Similarity NPD6672 Approved
0.6466 Remote Similarity NPD5737 Approved
0.6441 Remote Similarity NPD7637 Suspended
0.6441 Remote Similarity NPD8035 Phase 2
0.6441 Remote Similarity NPD8034 Phase 2
0.6435 Remote Similarity NPD3618 Phase 1
0.641 Remote Similarity NPD6080 Approved
0.641 Remote Similarity NPD6673 Approved
0.641 Remote Similarity NPD6904 Approved
0.6406 Remote Similarity NPD5169 Approved
0.6406 Remote Similarity NPD5135 Approved
0.6406 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6379 Remote Similarity NPD7524 Approved
0.6357 Remote Similarity NPD5127 Approved
0.6348 Remote Similarity NPD1694 Approved
0.6348 Remote Similarity NPD5363 Approved
0.6333 Remote Similarity NPD6001 Approved
0.6316 Remote Similarity NPD7154 Phase 3
0.6316 Remote Similarity NPD6110 Phase 1
0.6316 Remote Similarity NPD5362 Discontinued
0.6312 Remote Similarity NPD6845 Suspended
0.6304 Remote Similarity NPD8074 Phase 3
0.6303 Remote Similarity NPD5284 Approved
0.6303 Remote Similarity NPD5281 Approved
0.6303 Remote Similarity NPD5693 Phase 1
0.6303 Remote Similarity NPD6050 Approved
0.6293 Remote Similarity NPD6409 Approved
0.6293 Remote Similarity NPD7334 Approved
0.6293 Remote Similarity NPD5330 Approved
0.6293 Remote Similarity NPD7521 Approved
0.6293 Remote Similarity NPD6684 Approved
0.6293 Remote Similarity NPD7146 Approved
0.6261 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6261 Remote Similarity NPD4786 Approved
0.6239 Remote Similarity NPD3573 Approved
0.6228 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6218 Remote Similarity NPD5692 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL2373592
ZINC  

Physicochemical Properties

Molecular Weight:  616.40
ALogP:  -3.4367
MLogP:  4.54
XLogP:  6.511
# Rotatable Bonds:  26
Polar Surface Area:  130.36
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  44

Download Data

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