Natural Product: NPC44083

Natural Product ID:  NPC44083
Common Name:   Sitosteryl Acetate
IUPAC Name:   [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Synonyms:  
Molecular Formula:   C31H52O2
Standard InCHIKey:  PBWOIPCULUXTNY-LBKBYZTLSA-N
Standard InCHI:  InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
Canonical SMILES:  CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)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
NPO7863 Dioscorea opposita Species Dioscoreaceae Eukaryota TM-MC*
NPO395 Teucrium pilosum Species Lamiaceae Eukaryota UNPD*
NPO9461 Gmelina leichhardtii Species Lamiaceae Eukaryota UNPD*
NPO18609 Inula grandis Species Asteraceae Eukaryota UNPD*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO20972 Oscillatoria princeps Species Oscillatoriaceae Bacteria UNPD*
NPO21859 Centaurea nigrescens Species Asteraceae Eukaryota UNPD*
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TM-MC*
NPO4454 Maytenus salicifolia Species Celastraceae Eukaryota UNPD*
NPO23010 Crinum defixum Species Amaryllidaceae Eukaryota UNPD*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO22763 Cuphea carthagenensis Species Lythraceae Eukaryota UNPD*
NPO19899 Crepis foetida Species Asteraceae Eukaryota UNPD*
NPO21473 Urtica triangularis Species Urticaceae Eukaryota UNPD*
NPO12761 Rheum hotaoense Species Polygonaceae Eukaryota UNPD*
NPO20779 Garcinia hombroniana Species Clusiaceae Eukaryota UNPD*
NPO7322 Plagiochila acanthophylla Species Plagiochilaceae Eukaryota UNPD*
NPO20652 Phytolacca acinosa Species Phytolaccaceae Eukaryota UNPD*
NPO8403 Annona coriacea Species Annonaceae Eukaryota UNPD*
NPO6395 Phedimus kamtschaticus Species Crassulaceae Eukaryota UNPD*
NPO21603 Eskemukerjea megacarpum NA NA NA UNPD*
NPO2780 Brenneria rubrifaciens Species Pectobacteriaceae Bacteria UNPD*
NPO21096 Cardiospermum halicacabum Species Sapindaceae Eukaryota UNPD*
NPO11228 Fritillaria pallidiflora Species Liliaceae Eukaryota UNPD*
NPO9887 Protohermes grandis Species Corydalidae Eukaryota UNPD*
NPO10101 Rothmannia macrophylla Species Rubiaceae Eukaryota UNPD*
NPO16414 Thuja plicata Species Cupressaceae Eukaryota UNPD*
NPO13158 Fuscoporia obliqua Species Hymenochaetaceae Eukaryota UNPD*
NPO22509 Syncolostemon parviflorus Species Lamiaceae Eukaryota UNPD*
NPO3670 Crotalaria podocarpa Species Fabaceae Eukaryota UNPD*
NPO22381 Euphorbia segetalis Species Euphorbiaceae Eukaryota UNPD*
NPO12088 Conyza canadensis Species Asteraceae Eukaryota UNPD*
NPO12362 Coreopsis fasciculata Species Asteraceae Eukaryota UNPD*
NPO13095 Pachycereus tehuantepecanus Species Cactaceae Eukaryota UNPD*
NPO737 Aspergillus japonicus Species Aspergillaceae Eukaryota UNPD*
NPO9015 Solanum arundo Species Solanaceae Eukaryota UNPD*
NPO5310 Eucalyptus bakeri Species Myrtaceae Eukaryota UNPD*
NPO30270 Cordyceps sinensis Species Cordycipitaceae Eukaryota mycelium PMID[21848266]
NPO21420 Phormia regina Species Calliphoridae Eukaryota UNPD*
NPO21227 Aglaia elaeagnoidea Species Meliaceae Eukaryota UNPD*
NPO23953 Zanthoxylum monophyllum Species Rutaceae Eukaryota UNPD*
NPO20842 Beauveria felina Species Cordycipitaceae Eukaryota UNPD*
NPO29466 Triglochin maritima Species Juncaginaceae Eukaryota UNPD*
NPO28912 Astragalus gummifer Species Fabaceae Eukaryota UNPD*
NPO22635 Penstemon secundiflorus Species Plantaginaceae Eukaryota UNPD*
NPO22315 Phlogacanthus thyrsiflorus Species Acanthaceae Eukaryota UNPD*
NPO11540 Acacia leptostachya Species Fabaceae Eukaryota UNPD*
NPO22250 Parastrephia lepidophylla Species Asteraceae Eukaryota UNPD*
NPO22447 Sidastrum acuminatum Species Malvaceae Eukaryota UNPD*
NPO22052 Aspergillus candidus Species Aspergillaceae Eukaryota UNPD*
NPO22976 Ruta microcarpa Species Rutaceae Eukaryota UNPD*
NPO17461 Hedera canariensis Species Araliaceae Eukaryota UNPD*
NPO22829 Ozoroa insignis Species Anacardiaceae Eukaryota UNPD*
NPO22121 Piper arboreum Species Piperaceae Eukaryota UNPD*
NPO20146 Cladiella krempfi Species Alcyoniidae Eukaryota UNPD*
NPO29608 Ranunculi ternati radix NA NA NA TCMSP*
NPO22893 Apterostigma dentigerum Species Formicidae Eukaryota UNPD*
NPO20096 Cirsium japonicum Species Asteraceae Eukaryota UNPD*
NPO7565 Allium azureum ledeb Species Amaryllidaceae Eukaryota TCMSP*
NPO4919 Kalanchoe daigremontiana Species Crassulaceae Eukaryota UNPD*
NPO12045 Schottera nicaeensis Species Phyllophoraceae Eukaryota UNPD*
NPO29677 Scutellariae barbatae herba NA NA NA TCMSP*
NPO20332 Dioscoreophyllum cumminsii Species Menispermaceae Eukaryota UNPD*
NPO16847 Consolida ajacis Species Ranunculaceae Eukaryota UNPD*
NPO123 Pulsatilliae radix NA NA NA TCMSP*
NPO22568 Aristolochia elegans Species Aristolochiaceae Eukaryota UNPD*
NPO12148.1 Acer pictum subsp. mono Subspecies Sapindaceae Eukaryota UNPD*
NPO11673 Koelreuteria paniculata Species Sapindaceae Eukaryota UNPD*
NPO4054 Lysimachiae foenigraeci herba NA NA NA TCMSP*
NPO3313 Crotalaria trichotoma Species Fabaceae Eukaryota UNPD*
NPO15212.1 Fraxinus chinensis subsp. rhynchophylla Subspecies Oleaceae Eukaryota UNPD*
NPO3724 Amomum neoaurantiacum Species Zingiberaceae Eukaryota TCMSP*
NPO20209 Dorstenia lindeniana Species Moraceae Eukaryota UNPD*
NPO21282 Aplidium orthium Species Polyclinidae Eukaryota UNPD*
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota TM-MC*
NPO21730 Pouzolzia occidentalis Species Urticaceae Eukaryota UNPD*
NPO21991 Modiolus demissus Species Mytilidae Eukaryota UNPD*
NPO24833 Dioscorea polystachya Species Dioscoreaceae Eukaryota TM-MC*
NPO21349 Punica granatum Species Lythraceae Eukaryota UNPD*
NPO13355 Selinum carvifolium Species Apiaceae Eukaryota UNPD*
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 97.72 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 83.78 % 23571415

  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 NPC44083 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 NPC153987
0.9125 High Similarity NPC264127
0.9125 High Similarity NPC474970
0.8987 High Similarity NPC139206
0.8902 High Similarity NPC472220
0.8902 High Similarity NPC470612
0.8902 High Similarity NPC470613
0.8902 High Similarity NPC97884
0.878 High Similarity NPC478104
0.8734 High Similarity NPC108476
0.8659 High Similarity NPC155011
0.8659 High Similarity NPC286153
0.8588 High Similarity NPC177641
0.8588 High Similarity NPC234335
0.8571 High Similarity NPC321016
0.8571 High Similarity NPC177141
0.8571 High Similarity NPC107059
0.8571 High Similarity NPC321381
0.8537 High Similarity NPC470223
0.8519 High Similarity NPC132386
0.85 High Similarity NPC290495
0.85 High Similarity NPC195334
0.85 High Similarity NPC142163
0.8488 Intermediate Similarity NPC473678
0.8481 Intermediate Similarity NPC305835
0.8481 Intermediate Similarity NPC100906
0.8481 Intermediate Similarity NPC47808
0.8471 Intermediate Similarity NPC273199
0.8471 Intermediate Similarity NPC471896
0.8462 Intermediate Similarity NPC198968
0.8462 Intermediate Similarity NPC318495
0.8462 Intermediate Similarity NPC155986
0.8452 Intermediate Similarity NPC28227
0.8442 Intermediate Similarity NPC22105
0.8442 Intermediate Similarity NPC134847
0.8442 Intermediate Similarity NPC136188
0.8442 Intermediate Similarity NPC28657
0.8442 Intermediate Similarity NPC230301
0.8442 Intermediate Similarity NPC304309
0.8442 Intermediate Similarity NPC285893
0.8442 Intermediate Similarity NPC162742
0.8442 Intermediate Similarity NPC288035
0.8434 Intermediate Similarity NPC195640
0.8415 Intermediate Similarity NPC100391
0.8395 Intermediate Similarity NPC286786
0.8395 Intermediate Similarity NPC5985
0.8375 Intermediate Similarity NPC269791
0.8375 Intermediate Similarity NPC206735
0.8375 Intermediate Similarity NPC304194
0.8372 Intermediate Similarity NPC26888
0.8354 Intermediate Similarity NPC475337
0.8354 Intermediate Similarity NPC474216
0.8354 Intermediate Similarity NPC477522
0.8354 Intermediate Similarity NPC473943
0.8354 Intermediate Similarity NPC87604
0.8353 Intermediate Similarity NPC146554
0.8353 Intermediate Similarity NPC473647
0.8333 Intermediate Similarity NPC142361
0.8333 Intermediate Similarity NPC240604
0.8333 Intermediate Similarity NPC300324
0.8333 Intermediate Similarity NPC113733
0.8333 Intermediate Similarity NPC474684
0.8313 Intermediate Similarity NPC323765
0.8295 Intermediate Similarity NPC469599
0.8276 Intermediate Similarity NPC470224
0.8276 Intermediate Similarity NPC38232
0.8272 Intermediate Similarity NPC474752
0.8272 Intermediate Similarity NPC7505
0.8272 Intermediate Similarity NPC474731
0.8272 Intermediate Similarity NPC474759
0.8272 Intermediate Similarity NPC82986
0.8272 Intermediate Similarity NPC474683
0.8267 Intermediate Similarity NPC22301
0.8256 Intermediate Similarity NPC111585
0.8256 Intermediate Similarity NPC175628
0.8256 Intermediate Similarity NPC148414
0.825 Intermediate Similarity NPC28862
0.825 Intermediate Similarity NPC143182
0.825 Intermediate Similarity NPC328714
0.825 Intermediate Similarity NPC81306
0.825 Intermediate Similarity NPC84694
0.825 Intermediate Similarity NPC109546
0.825 Intermediate Similarity NPC47982
0.8235 Intermediate Similarity NPC473879
0.8228 Intermediate Similarity NPC283619
0.8228 Intermediate Similarity NPC34019
0.8205 Intermediate Similarity NPC141071
0.8205 Intermediate Similarity NPC471723
0.8205 Intermediate Similarity NPC257347
0.8202 Intermediate Similarity NPC253115
0.8202 Intermediate Similarity NPC475178
0.8202 Intermediate Similarity NPC276103
0.8202 Intermediate Similarity NPC304899
0.8202 Intermediate Similarity NPC54248
0.8193 Intermediate Similarity NPC33913
0.8193 Intermediate Similarity NPC59453
0.8193 Intermediate Similarity NPC221758
0.8193 Intermediate Similarity NPC472265
0.8182 Intermediate Similarity NPC474922
0.8171 Intermediate Similarity NPC471218
0.8161 Intermediate Similarity NPC218301
0.8148 Intermediate Similarity NPC26117
0.8148 Intermediate Similarity NPC164840
0.8148 Intermediate Similarity NPC241290
0.8148 Intermediate Similarity NPC234193
0.8148 Intermediate Similarity NPC209944
0.814 Intermediate Similarity NPC474704
0.814 Intermediate Similarity NPC474570
0.814 Intermediate Similarity NPC472240
0.814 Intermediate Similarity NPC262858
0.814 Intermediate Similarity NPC474889
0.814 Intermediate Similarity NPC475921
0.8125 Intermediate Similarity NPC76931
0.8125 Intermediate Similarity NPC275910
0.8125 Intermediate Similarity NPC307965
0.8125 Intermediate Similarity NPC35574
0.8125 Intermediate Similarity NPC18603
0.8118 Intermediate Similarity NPC167877
0.8118 Intermediate Similarity NPC159046
0.8118 Intermediate Similarity NPC233836
0.8118 Intermediate Similarity NPC187376
0.8111 Intermediate Similarity NPC475033
0.8111 Intermediate Similarity NPC475032
0.8101 Intermediate Similarity NPC134330
0.8101 Intermediate Similarity NPC129165
0.8101 Intermediate Similarity NPC96319
0.8101 Intermediate Similarity NPC474463
0.8101 Intermediate Similarity NPC189883
0.8095 Intermediate Similarity NPC474349
0.8095 Intermediate Similarity NPC191965
0.8095 Intermediate Similarity NPC474013
0.8095 Intermediate Similarity NPC474189
0.809 Intermediate Similarity NPC281134
0.8072 Intermediate Similarity NPC5280
0.8072 Intermediate Similarity NPC470046
0.8072 Intermediate Similarity NPC475789
0.8072 Intermediate Similarity NPC52108
0.8072 Intermediate Similarity NPC473742
0.8072 Intermediate Similarity NPC470047
0.8072 Intermediate Similarity NPC474789
0.8049 Intermediate Similarity NPC25554
0.8049 Intermediate Similarity NPC474531
0.8049 Intermediate Similarity NPC47761
0.8049 Intermediate Similarity NPC23852
0.8049 Intermediate Similarity NPC147066
0.8049 Intermediate Similarity NPC470383
0.8049 Intermediate Similarity NPC264245
0.8049 Intermediate Similarity NPC209620
0.8049 Intermediate Similarity NPC473534
0.8025 Intermediate Similarity NPC209430
0.8025 Intermediate Similarity NPC30986
0.8025 Intermediate Similarity NPC242767
0.8025 Intermediate Similarity NPC1319
0.8023 Intermediate Similarity NPC242864
0.8 Intermediate Similarity NPC91525
0.8 Intermediate Similarity NPC474732
0.8 Intermediate Similarity NPC51014
0.8 Intermediate Similarity NPC470051
0.8 Intermediate Similarity NPC84121
0.8 Intermediate Similarity NPC88009
0.8 Intermediate Similarity NPC9892
0.8 Intermediate Similarity NPC474778
0.8 Intermediate Similarity NPC55309
0.8 Intermediate Similarity NPC214570
0.8 Intermediate Similarity NPC137306
0.8 Intermediate Similarity NPC325594
0.8 Intermediate Similarity NPC470050
0.8 Intermediate Similarity NPC28252
0.8 Intermediate Similarity NPC329943
0.8 Intermediate Similarity NPC31564
0.8 Intermediate Similarity NPC474733
0.8 Intermediate Similarity NPC10005
0.8 Intermediate Similarity NPC145879
0.7978 Intermediate Similarity NPC128488
0.7978 Intermediate Similarity NPC159410
0.7978 Intermediate Similarity NPC304968
0.7976 Intermediate Similarity NPC239362
0.7976 Intermediate Similarity NPC96055
0.7976 Intermediate Similarity NPC474047
0.7976 Intermediate Similarity NPC312660
0.7976 Intermediate Similarity NPC475509
0.7976 Intermediate Similarity NPC165064
0.7976 Intermediate Similarity NPC109512
0.7975 Intermediate Similarity NPC113639
0.7955 Intermediate Similarity NPC154101
0.7955 Intermediate Similarity NPC189520
0.7952 Intermediate Similarity NPC260956
0.7952 Intermediate Similarity NPC1272
0.7952 Intermediate Similarity NPC470049
0.7952 Intermediate Similarity NPC240302
0.7952 Intermediate Similarity NPC328351
0.7952 Intermediate Similarity NPC151519
0.7952 Intermediate Similarity NPC321289
0.7952 Intermediate Similarity NPC189972
0.7952 Intermediate Similarity NPC50964
0.7952 Intermediate Similarity NPC472504
0.7952 Intermediate Similarity NPC256112
0.7952 Intermediate Similarity NPC327969
0.7952 Intermediate Similarity NPC100297
0.7952 Intermediate Similarity NPC470614

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC44083 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
0.8488 Intermediate Similarity NPD6399 Phase 3
0.8442 Intermediate Similarity NPD6942 Approved
0.8442 Intermediate Similarity NPD7339 Approved
0.8434 Intermediate Similarity NPD7146 Approved
0.8434 Intermediate Similarity NPD6684 Approved
0.8434 Intermediate Similarity NPD5330 Approved
0.8434 Intermediate Similarity NPD6409 Approved
0.8434 Intermediate Similarity NPD7521 Approved
0.8434 Intermediate Similarity NPD7334 Approved
0.8353 Intermediate Similarity NPD6051 Approved
0.8235 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD6903 Approved
0.8235 Intermediate Similarity NPD5737 Approved
0.8235 Intermediate Similarity NPD6672 Approved
0.8193 Intermediate Similarity NPD4786 Approved
0.8101 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD6098 Approved
0.7952 Intermediate Similarity NPD3667 Approved
0.7765 Intermediate Similarity NPD3668 Phase 3
0.7727 Intermediate Similarity NPD6080 Approved
0.7727 Intermediate Similarity NPD6904 Approved
0.7727 Intermediate Similarity NPD6673 Approved
0.7711 Intermediate Similarity NPD7525 Registered
0.7625 Intermediate Similarity NPD4785 Approved
0.7625 Intermediate Similarity NPD4784 Approved
0.7625 Intermediate Similarity NPD6926 Approved
0.7625 Intermediate Similarity NPD6924 Approved
0.7614 Intermediate Similarity NPD5208 Approved
0.7595 Intermediate Similarity NPD4243 Approved
0.7528 Intermediate Similarity NPD5328 Approved
0.7527 Intermediate Similarity NPD6084 Phase 2
0.7527 Intermediate Similarity NPD6083 Phase 2
0.75 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD7638 Approved
0.7439 Intermediate Similarity NPD6933 Approved
0.7391 Intermediate Similarity NPD7748 Approved
0.7391 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD7900 Approved
0.7386 Intermediate Similarity NPD3618 Phase 1
0.7381 Intermediate Similarity NPD4195 Approved
0.7381 Intermediate Similarity NPD7645 Phase 2
0.7375 Intermediate Similarity NPD7150 Approved
0.7375 Intermediate Similarity NPD7151 Approved
0.7375 Intermediate Similarity NPD7152 Approved
0.7368 Intermediate Similarity NPD7640 Approved
0.7368 Intermediate Similarity NPD7639 Approved
0.7363 Intermediate Similarity NPD6050 Approved
0.7363 Intermediate Similarity NPD6079 Approved
0.7363 Intermediate Similarity NPD8034 Phase 2
0.7363 Intermediate Similarity NPD5693 Phase 1
0.7363 Intermediate Similarity NPD8035 Phase 2
0.7356 Intermediate Similarity NPD3666 Approved
0.7356 Intermediate Similarity NPD3665 Phase 1
0.7356 Intermediate Similarity NPD3133 Approved
0.7347 Intermediate Similarity NPD6008 Approved
0.7347 Intermediate Similarity NPD6675 Approved
0.7347 Intermediate Similarity NPD7128 Approved
0.7347 Intermediate Similarity NPD6402 Approved
0.7347 Intermediate Similarity NPD5739 Approved
0.7342 Intermediate Similarity NPD6923 Approved
0.7342 Intermediate Similarity NPD6922 Approved
0.7312 Intermediate Similarity NPD5695 Phase 3
0.7303 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD5696 Approved
0.7253 Intermediate Similarity NPD5207 Approved
0.7253 Intermediate Similarity NPD5692 Phase 3
0.725 Intermediate Similarity NPD7144 Approved
0.725 Intermediate Similarity NPD7143 Approved
0.7241 Intermediate Similarity NPD6695 Phase 3
0.7204 Intermediate Similarity NPD5707 Approved
0.7204 Intermediate Similarity NPD6001 Approved
0.72 Intermediate Similarity NPD6881 Approved
0.72 Intermediate Similarity NPD7320 Approved
0.72 Intermediate Similarity NPD6899 Approved
0.7176 Intermediate Similarity NPD6929 Approved
0.7174 Intermediate Similarity NPD5694 Approved
0.7174 Intermediate Similarity NPD7515 Phase 2
0.7174 Intermediate Similarity NPD7637 Suspended
0.7159 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD7902 Approved
0.7129 Intermediate Similarity NPD6373 Approved
0.7129 Intermediate Similarity NPD6372 Approved
0.7126 Intermediate Similarity NPD4223 Phase 3
0.7126 Intermediate Similarity NPD4221 Approved
0.7126 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD3573 Approved
0.7108 Intermediate Similarity NPD4190 Phase 3
0.7108 Intermediate Similarity NPD5275 Approved
0.71 Intermediate Similarity NPD5697 Approved
0.71 Intermediate Similarity NPD5701 Approved
0.7097 Intermediate Similarity NPD4202 Approved
0.7093 Intermediate Similarity NPD4748 Discontinued
0.7093 Intermediate Similarity NPD6930 Phase 2
0.7093 Intermediate Similarity NPD6931 Approved
0.7079 Intermediate Similarity NPD5329 Approved
0.7059 Intermediate Similarity NPD7290 Approved
0.7059 Intermediate Similarity NPD7102 Approved
0.7059 Intermediate Similarity NPD6883 Approved
0.7037 Intermediate Similarity NPD4747 Approved
0.703 Intermediate Similarity NPD6011 Approved
0.7 Intermediate Similarity NPD5279 Phase 3
0.699 Remote Similarity NPD8130 Phase 1
0.699 Remote Similarity NPD6869 Approved
0.699 Remote Similarity NPD6847 Approved
0.699 Remote Similarity NPD6617 Approved
0.699 Remote Similarity NPD6650 Approved
0.699 Remote Similarity NPD6649 Approved
0.699 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6966 Remote Similarity NPD4197 Approved
0.6961 Remote Similarity NPD6014 Approved
0.6961 Remote Similarity NPD6012 Approved
0.6961 Remote Similarity NPD6013 Approved
0.6957 Remote Similarity NPD4753 Phase 2
0.6951 Remote Similarity NPD5777 Approved
0.6941 Remote Similarity NPD6925 Approved
0.6941 Remote Similarity NPD5776 Phase 2
0.6941 Remote Similarity NPD6932 Approved
0.6923 Remote Similarity NPD6882 Approved
0.6923 Remote Similarity NPD7750 Discontinued
0.6923 Remote Similarity NPD7524 Approved
0.6923 Remote Similarity NPD8297 Approved
0.6914 Remote Similarity NPD4137 Phase 3
0.6897 Remote Similarity NPD7509 Discontinued
0.6875 Remote Similarity NPD5222 Approved
0.6875 Remote Similarity NPD5221 Approved
0.6875 Remote Similarity NPD4697 Phase 3
0.6875 Remote Similarity NPD5220 Clinical (unspecified phase)
0.686 Remote Similarity NPD7145 Approved
0.6829 Remote Similarity NPD4691 Approved
0.6822 Remote Similarity NPD7115 Discovery
0.6813 Remote Similarity NPD4690 Approved
0.6813 Remote Similarity NPD4688 Approved
0.6813 Remote Similarity NPD4693 Phase 3
0.6813 Remote Similarity NPD4689 Approved
0.6813 Remote Similarity NPD4138 Approved
0.6813 Remote Similarity NPD5205 Approved
0.6809 Remote Similarity NPD5284 Approved
0.6809 Remote Similarity NPD6411 Approved
0.6809 Remote Similarity NPD5281 Approved
0.6804 Remote Similarity NPD5173 Approved
0.6804 Remote Similarity NPD4755 Approved
0.68 Remote Similarity NPD6052 Approved
0.679 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6786 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5733 Approved
0.6782 Remote Similarity NPD6683 Phase 2
0.6771 Remote Similarity NPD5654 Approved
0.6735 Remote Similarity NPD4225 Approved
0.6729 Remote Similarity NPD6868 Approved
0.6705 Remote Similarity NPD7514 Phase 3
0.6703 Remote Similarity NPD6893 Approved
0.6703 Remote Similarity NPD1694 Approved
0.67 Remote Similarity NPD7632 Discontinued
0.6667 Remote Similarity NPD3617 Approved
0.6667 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4788 Approved
0.6667 Remote Similarity NPD4700 Approved
0.6667 Remote Similarity NPD5286 Approved
0.6667 Remote Similarity NPD4696 Approved
0.6667 Remote Similarity NPD5285 Approved
0.6633 Remote Similarity NPD5959 Approved
0.6632 Remote Similarity NPD7087 Discontinued
0.663 Remote Similarity NPD5280 Approved
0.663 Remote Similarity NPD5690 Phase 2
0.663 Remote Similarity NPD4694 Approved
0.6629 Remote Similarity NPD6902 Approved
0.6628 Remote Similarity NPD6117 Approved
0.6606 Remote Similarity NPD6335 Approved
0.6602 Remote Similarity NPD6412 Phase 2
0.6602 Remote Similarity NPD6614 Approved
0.66 Remote Similarity NPD5223 Approved
0.6598 Remote Similarity NPD5210 Approved
0.6598 Remote Similarity NPD4629 Approved
0.6596 Remote Similarity NPD6101 Approved
0.6596 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6596 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6588 Remote Similarity NPD4058 Approved
0.6588 Remote Similarity NPD4687 Approved
0.6574 Remote Similarity NPD6274 Approved
0.6566 Remote Similarity NPD5290 Discontinued
0.6552 Remote Similarity NPD6116 Phase 1
0.6548 Remote Similarity NPD5276 Approved
0.6545 Remote Similarity NPD7100 Approved
0.6545 Remote Similarity NPD7101 Approved
0.6542 Remote Similarity NPD6858 Approved
0.6542 Remote Similarity NPD7094 Approved
0.6542 Remote Similarity NPD4632 Approved
0.6535 Remote Similarity NPD5224 Approved
0.6535 Remote Similarity NPD5211 Phase 2
0.6535 Remote Similarity NPD5225 Approved
0.6535 Remote Similarity NPD5226 Approved
0.6535 Remote Similarity NPD4633 Approved
0.6531 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6517 Remote Similarity NPD7332 Phase 2
0.6517 Remote Similarity NPD4695 Discontinued
0.6514 Remote Similarity NPD6317 Approved
0.6512 Remote Similarity NPD8264 Approved
0.6512 Remote Similarity NPD3702 Approved
0.6512 Remote Similarity NPD8039 Approved

Structure

External Identifiers

PubChem CID   5354503
ChEMBL   CHEMBL2298951
ZINC  

Physicochemical Properties

Molecular Weight:  456.40
ALogP:  1.6791
MLogP:  4.65
XLogP:  12.335
# Rotatable Bonds:  15
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  33

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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