Natural Product: NPC30583

Natural Product ID:  NPC30583
Common Name:   Platanic Acid
IUPAC Name:   (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Synonyms:   Platanic Acid
Molecular Formula:   C29H46O4
Standard InCHIKey:  RVMPLOSJMIQORE-FUAAEJBOSA-N
Standard InCHI:  InChI=1S/C29H46O4/c1-17(30)18-9-14-29(24(32)33)16-15-27(5)19(23(18)29)7-8-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,27)6/h18-23,31H,7-16H2,1-6H3,(H,32,33)/t18-,19+,20-,21+,22-,23+,26-,27+,28+,29-/m0/s1
Canonical SMILES:  CC(=O)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=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
NPO24136 Melaleuca ericifolia Species Myrtaceae Eukaryota leaves Mansoura, Egypt 2006-JAN PMID[18826277]
NPO24304 Glycyrrhiza lepidota Species Fabaceae Eukaryota UNPD*
NPO5064 Derris uliginosa Species Fabaceae Eukaryota UNPD*
NPO23854 Scilla maritima Species Hyacinthaceae Eukaryota UNPD*
NPO25535 Cosmos pringlei Species Asteraceae Eukaryota UNPD*
NPO24446 Diotis maritima NA NA NA UNPD*
NPO25197 Magnolia sprengeri Species Magnoliaceae Eukaryota UNPD*
NPO14279.1 Ficus sarmentosa var. thunbergii Varieties Moraceae Eukaryota UNPD*
NPO20150 Erythrina sacleuxii Species Fabaceae Eukaryota UNPD*
NPO24230 Petriella sordida Species Microascaceae Eukaryota UNPD*
NPO21196 Dichotomaria marginata Species Galaxauraceae Eukaryota UNPD*
NPO21967 Astragalus asper Species Fabaceae Eukaryota UNPD*
NPO29226.1 Ficus cordata subsp. salicifolia Subspecies Moraceae Eukaryota UNPD*
NPO5771 Sinularia molesta Species Alcyoniidae Eukaryota UNPD*
NPO25678 Albertisia papuana Species Menispermaceae Eukaryota UNPD*
NPO26000 Breynia fruticosa Species Phyllanthaceae Eukaryota Root PMID[21428418]
NPO28686 Syzygium claviflorum Species Myrtaceae Eukaryota Leaves PMID[8176401]
NPO23313 Dioscorea althaeoides Species Dioscoreaceae Eukaryota UNPD*
NPO25647 Taraxacum bicorne Species Asteraceae Eukaryota UNPD*
NPO4074 Lonchocarpus orotinus Species Fabaceae Eukaryota UNPD*
NPO25862 Lafoensia glyptocarpa Species Lythraceae Eukaryota UNPD*
NPO22144 Daphne lancifolia Species Thymelaeaceae Eukaryota UNPD*
NPO24605 Monochaetia compta Species Sporocadaceae Eukaryota UNPD*
NPO25372 Valeriana fedtschenkoi Species Caprifoliaceae Eukaryota UNPD*
NPO25705 Cordia curassavica Species Cordiaceae Eukaryota UNPD*
NPO6157 Dahlstedtia araripensis Species Fabaceae Eukaryota UNPD*
NPO23975 Osteophloeum platyspermum Species Myristicaceae Eukaryota UNPD*
NPO23698 Gardneria insularis Species Loganiaceae Eukaryota UNPD*
NPO25263 Aulacomnium androgynum Species Aulacomniaceae Eukaryota UNPD*
NPO25887 Turbinaria ornata Species Sargassaceae Eukaryota UNPD*
NPO24416 Artemisia tournefortiana Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT393 Cell Line HCT-116 Homo sapiens GI50 > 50000 nM 11527742
NPT387 Cell Line M14 Homo sapiens GI50 > 50000 nM 11527742
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 > 50000 nM 11527742
NPT403 Cell Line UACC-257 Homo sapiens GI50 > 50000 nM 11527742
NPT306 Cell Line PC-3 Homo sapiens EC50 > 50000000 nM 11527742
NPT147 Cell Line SK-MEL-2 Homo sapiens EC50 > 50000000 nM 11527742
NPT2 Others Unspecified IC50 > 20000 nM 18826277
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 6500 nM 8176401
NPT759 Cell Line H9 Homo sapiens IC50 = 90000 nM 8176401
NPT2 Others Unspecified Ratio IC50/EC50 = 13 8176401
NPT760 Individual Protein Protein kinase C beta Homo sapiens IC50 > 150000 nM 8176401
NPT761 Individual Protein Protein kinase C epsilon Homo sapiens IC50 > 150000 nM 8176401
NPT745 Individual Protein G-protein coupled bile acid receptor 1 Homo sapiens EC50 = 3110 nM 19911773
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens EC50 = 0 nM 19911773
NPT179 Cell Line A2780 Homo sapiens IC50 = 68050 nM 23973824
NPT1215 Cell Line 8505C Homo sapiens IC50 = 93600 nM 23973824
NPT2 Others Unspecified IC50 = 97470 nM 23973824
NPT83 Cell Line MCF7 Homo sapiens IC50 = 63230 nM 23973824
NPT81 Cell Line A549 Homo sapiens IC50 = 75370 nM 23973824
NPT2 Others Unspecified EC50 = 1500 nM 26177446
NPT1215 Cell Line 8505C Homo sapiens EC50 = 1570 nM 26177446
NPT81 Cell Line A549 Homo sapiens EC50 = 1540 nM 26177446
NPT139 Cell Line HT-29 Homo sapiens EC50 = 1690 nM 26177446
NPT83 Cell Line MCF7 Homo sapiens EC50 = 1550 nM 26177446

  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 NPC30583 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
0.9487 High Similarity NPC289486
0.9487 High Similarity NPC61107
0.9351 High Similarity NPC320144
0.9342 High Similarity NPC298168
0.9342 High Similarity NPC143133
0.9221 High Similarity NPC185465
0.9211 High Similarity NPC4209
0.9211 High Similarity NPC475742
0.9211 High Similarity NPC5767
0.9091 High Similarity NPC317913
0.9091 High Similarity NPC207010
0.9091 High Similarity NPC221420
0.9079 High Similarity NPC195155
0.9079 High Similarity NPC212733
0.9079 High Similarity NPC472311
0.9079 High Similarity NPC174964
0.9079 High Similarity NPC97534
0.8987 High Similarity NPC261616
0.8974 High Similarity NPC224802
0.8974 High Similarity NPC80089
0.8974 High Similarity NPC324700
0.8974 High Similarity NPC171426
0.8974 High Similarity NPC34046
0.8947 High Similarity NPC167702
0.8947 High Similarity NPC280026
0.8902 High Similarity NPC62572
0.8861 High Similarity NPC201276
0.8861 High Similarity NPC80891
0.8846 High Similarity NPC23884
0.8816 High Similarity NPC232112
0.8718 High Similarity NPC472486
0.8718 High Similarity NPC472487
0.8701 High Similarity NPC133922
0.8684 High Similarity NPC156277
0.8684 High Similarity NPC58057
0.8684 High Similarity NPC151018
0.8684 High Similarity NPC320549
0.8642 High Similarity NPC12933
0.8625 High Similarity NPC472310
0.859 High Similarity NPC21220
0.859 High Similarity NPC125767
0.859 High Similarity NPC273366
0.8588 High Similarity NPC474719
0.8571 High Similarity NPC2783
0.8554 High Similarity NPC473336
0.8554 High Similarity NPC471044
0.8553 High Similarity NPC108131
0.8537 High Similarity NPC268040
0.8537 High Similarity NPC121121
0.8519 High Similarity NPC477851
0.85 High Similarity NPC472608
0.85 High Similarity NPC26029
0.85 High Similarity NPC329117
0.8471 Intermediate Similarity NPC269360
0.8471 Intermediate Similarity NPC252714
0.8471 Intermediate Similarity NPC33768
0.8471 Intermediate Similarity NPC264005
0.8462 Intermediate Similarity NPC254340
0.8452 Intermediate Similarity NPC294438
0.8452 Intermediate Similarity NPC264317
0.8442 Intermediate Similarity NPC89310
0.8442 Intermediate Similarity NPC472309
0.8421 Intermediate Similarity NPC319671
0.8421 Intermediate Similarity NPC476734
0.8421 Intermediate Similarity NPC469941
0.8421 Intermediate Similarity NPC6120
0.8421 Intermediate Similarity NPC327728
0.8421 Intermediate Similarity NPC252032
0.8421 Intermediate Similarity NPC213178
0.8421 Intermediate Similarity NPC131892
0.8415 Intermediate Similarity NPC58631
0.8415 Intermediate Similarity NPC476071
0.8409 Intermediate Similarity NPC224060
0.8409 Intermediate Similarity NPC244356
0.8375 Intermediate Similarity NPC475031
0.8372 Intermediate Similarity NPC16377
0.8354 Intermediate Similarity NPC159789
0.8353 Intermediate Similarity NPC12774
0.8353 Intermediate Similarity NPC472272
0.8353 Intermediate Similarity NPC302111
0.8333 Intermediate Similarity NPC319909
0.8333 Intermediate Similarity NPC68426
0.8333 Intermediate Similarity NPC237938
0.8333 Intermediate Similarity NPC477229
0.8333 Intermediate Similarity NPC219535
0.8333 Intermediate Similarity NPC282905
0.8313 Intermediate Similarity NPC328007
0.8312 Intermediate Similarity NPC477929
0.8276 Intermediate Similarity NPC220498
0.8276 Intermediate Similarity NPC213832
0.8276 Intermediate Similarity NPC57954
0.8272 Intermediate Similarity NPC31031
0.8272 Intermediate Similarity NPC243594
0.825 Intermediate Similarity NPC471046
0.825 Intermediate Similarity NPC108840
0.8228 Intermediate Similarity NPC168511
0.8228 Intermediate Similarity NPC159325
0.8228 Intermediate Similarity NPC477930
0.8222 Intermediate Similarity NPC266431
0.8214 Intermediate Similarity NPC475726
0.8214 Intermediate Similarity NPC327451
0.8214 Intermediate Similarity NPC472743
0.8205 Intermediate Similarity NPC469940
0.8202 Intermediate Similarity NPC472147
0.8202 Intermediate Similarity NPC472148
0.8193 Intermediate Similarity NPC48756
0.8193 Intermediate Similarity NPC469745
0.8193 Intermediate Similarity NPC280781
0.8182 Intermediate Similarity NPC196197
0.8182 Intermediate Similarity NPC169933
0.8182 Intermediate Similarity NPC77756
0.8171 Intermediate Similarity NPC220379
0.8161 Intermediate Similarity NPC4309
0.8161 Intermediate Similarity NPC471900
0.8148 Intermediate Similarity NPC180199
0.8148 Intermediate Similarity NPC477918
0.8148 Intermediate Similarity NPC477919
0.814 Intermediate Similarity NPC120395
0.814 Intermediate Similarity NPC248216
0.814 Intermediate Similarity NPC83242
0.8125 Intermediate Similarity NPC267753
0.8118 Intermediate Similarity NPC473299
0.8118 Intermediate Similarity NPC474996
0.8118 Intermediate Similarity NPC475745
0.8118 Intermediate Similarity NPC474482
0.8118 Intermediate Similarity NPC50438
0.8101 Intermediate Similarity NPC310766
0.8101 Intermediate Similarity NPC81759
0.8095 Intermediate Similarity NPC317066
0.809 Intermediate Similarity NPC52756
0.8077 Intermediate Similarity NPC477850
0.8072 Intermediate Similarity NPC470609
0.8068 Intermediate Similarity NPC271974
0.8068 Intermediate Similarity NPC56962
0.8068 Intermediate Similarity NPC471459
0.8068 Intermediate Similarity NPC247312
0.8068 Intermediate Similarity NPC24705
0.8068 Intermediate Similarity NPC67653
0.8052 Intermediate Similarity NPC470956
0.8052 Intermediate Similarity NPC473225
0.8049 Intermediate Similarity NPC199965
0.8049 Intermediate Similarity NPC476732
0.8046 Intermediate Similarity NPC57469
0.8046 Intermediate Similarity NPC4643
0.8026 Intermediate Similarity NPC42060
0.8026 Intermediate Similarity NPC268736
0.8026 Intermediate Similarity NPC477931
0.8026 Intermediate Similarity NPC142712
0.8025 Intermediate Similarity NPC477932
0.8025 Intermediate Similarity NPC477933
0.8023 Intermediate Similarity NPC201655
0.8023 Intermediate Similarity NPC292553
0.8 Intermediate Similarity NPC471902
0.8 Intermediate Similarity NPC473690
0.8 Intermediate Similarity NPC291373
0.8 Intermediate Similarity NPC130011
0.8 Intermediate Similarity NPC476189
0.8 Intermediate Similarity NPC287118
0.7978 Intermediate Similarity NPC476296
0.7976 Intermediate Similarity NPC474870
0.7976 Intermediate Similarity NPC73515
0.7976 Intermediate Similarity NPC271572
0.7975 Intermediate Similarity NPC290058
0.7955 Intermediate Similarity NPC236459
0.7955 Intermediate Similarity NPC473319
0.7955 Intermediate Similarity NPC131104
0.7955 Intermediate Similarity NPC90676
0.7955 Intermediate Similarity NPC3032
0.7949 Intermediate Similarity NPC324607
0.7949 Intermediate Similarity NPC321732
0.7949 Intermediate Similarity NPC474962
0.7949 Intermediate Similarity NPC64466
0.7931 Intermediate Similarity NPC476726
0.7931 Intermediate Similarity NPC80700
0.7931 Intermediate Similarity NPC472738
0.7931 Intermediate Similarity NPC476727
0.7927 Intermediate Similarity NPC112463
0.7927 Intermediate Similarity NPC471151
0.7927 Intermediate Similarity NPC264602
0.7922 Intermediate Similarity NPC472984
0.7922 Intermediate Similarity NPC48079
0.7912 Intermediate Similarity NPC277399
0.7912 Intermediate Similarity NPC303863
0.7907 Intermediate Similarity NPC105895
0.7907 Intermediate Similarity NPC264665
0.7907 Intermediate Similarity NPC474233
0.7907 Intermediate Similarity NPC74595
0.7901 Intermediate Similarity NPC132064
0.7901 Intermediate Similarity NPC477934
0.7901 Intermediate Similarity NPC179858
0.7895 Intermediate Similarity NPC469791
0.7889 Intermediate Similarity NPC475416
0.7889 Intermediate Similarity NPC160506
0.7889 Intermediate Similarity NPC471901
0.7857 Intermediate Similarity NPC472853
0.7848 Intermediate Similarity NPC192192
0.7841 Intermediate Similarity NPC263802
0.7826 Intermediate Similarity NPC470031
0.7826 Intermediate Similarity NPC62407
0.7826 Intermediate Similarity NPC287354

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC30583 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
0.9211 High Similarity NPD6117 Approved
0.9091 High Similarity NPD6116 Phase 1
0.8974 High Similarity NPD6115 Approved
0.8974 High Similarity NPD6697 Approved
0.8974 High Similarity NPD6114 Approved
0.8974 High Similarity NPD6118 Approved
0.8947 High Similarity NPD6113 Clinical (unspecified phase)
0.8684 High Similarity NPD6081 Approved
0.8684 High Similarity NPD4808 Clinical (unspecified phase)
0.8684 High Similarity NPD4809 Clinical (unspecified phase)
0.8452 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.8421 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.8421 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.8354 Intermediate Similarity NPD3703 Phase 2
0.8077 Intermediate Similarity NPD4789 Approved
0.8077 Intermediate Similarity NPD4244 Approved
0.8077 Intermediate Similarity NPD4245 Approved
0.8052 Intermediate Similarity NPD5360 Phase 3
0.8052 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.8026 Intermediate Similarity NPD4224 Phase 2
0.7949 Intermediate Similarity NPD3698 Phase 2
0.7895 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7889 Intermediate Similarity NPD8035 Phase 2
0.7889 Intermediate Similarity NPD8034 Phase 2
0.775 Intermediate Similarity NPD5777 Approved
0.7683 Intermediate Similarity NPD3702 Approved
0.7619 Intermediate Similarity NPD3671 Phase 1
0.7531 Intermediate Similarity NPD4758 Discontinued
0.75 Intermediate Similarity NPD7515 Phase 2
0.75 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD5364 Discontinued
0.7283 Intermediate Similarity NPD5328 Approved
0.7158 Intermediate Similarity NPD7748 Approved
0.7143 Intermediate Similarity NPD8418 Phase 2
0.7128 Intermediate Similarity NPD6079 Approved
0.7111 Intermediate Similarity NPD4786 Approved
0.7053 Intermediate Similarity NPD6399 Phase 3
0.7 Intermediate Similarity NPD4788 Approved
0.6988 Remote Similarity NPD4787 Phase 1
0.6961 Remote Similarity NPD5739 Approved
0.6961 Remote Similarity NPD6675 Approved
0.6961 Remote Similarity NPD6402 Approved
0.6961 Remote Similarity NPD7128 Approved
0.6957 Remote Similarity NPD3618 Phase 1
0.6939 Remote Similarity NPD7902 Approved
0.6889 Remote Similarity NPD3667 Approved
0.6863 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6837 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6837 Remote Similarity NPD5221 Approved
0.6837 Remote Similarity NPD5222 Approved
0.6837 Remote Similarity NPD4697 Phase 3
0.6827 Remote Similarity NPD6899 Approved
0.6827 Remote Similarity NPD6881 Approved
0.6827 Remote Similarity NPD7320 Approved
0.6796 Remote Similarity NPD6920 Discontinued
0.6795 Remote Similarity NPD3198 Approved
0.6768 Remote Similarity NPD4755 Approved
0.6768 Remote Similarity NPD5173 Approved
0.6762 Remote Similarity NPD6373 Approved
0.6762 Remote Similarity NPD6372 Approved
0.6731 Remote Similarity NPD5701 Approved
0.6731 Remote Similarity NPD5697 Approved
0.6701 Remote Similarity NPD4202 Approved
0.67 Remote Similarity NPD7638 Approved
0.6698 Remote Similarity NPD6883 Approved
0.6698 Remote Similarity NPD7102 Approved
0.6698 Remote Similarity NPD7290 Approved
0.6667 Remote Similarity NPD6011 Approved
0.6667 Remote Similarity NPD7525 Registered
0.6667 Remote Similarity NPD6928 Phase 2
0.6636 Remote Similarity NPD6617 Approved
0.6636 Remote Similarity NPD6869 Approved
0.6636 Remote Similarity NPD8130 Phase 1
0.6636 Remote Similarity NPD6847 Approved
0.6636 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6649 Approved
0.6636 Remote Similarity NPD6650 Approved
0.6634 Remote Similarity NPD4696 Approved
0.6634 Remote Similarity NPD7640 Approved
0.6634 Remote Similarity NPD7639 Approved
0.6634 Remote Similarity NPD5286 Approved
0.6634 Remote Similarity NPD4700 Approved
0.6634 Remote Similarity NPD5285 Approved
0.6633 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6633 Remote Similarity NPD7900 Approved
0.6632 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6604 Remote Similarity NPD6014 Approved
0.6604 Remote Similarity NPD6013 Approved
0.6604 Remote Similarity NPD6012 Approved
0.66 Remote Similarity NPD6083 Phase 2
0.66 Remote Similarity NPD6084 Phase 2
0.6579 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6574 Remote Similarity NPD6882 Approved
0.6574 Remote Similarity NPD8297 Approved
0.6569 Remote Similarity NPD5223 Approved
0.6559 Remote Similarity NPD3666 Approved
0.6559 Remote Similarity NPD3665 Phase 1
0.6559 Remote Similarity NPD3133 Approved
0.6535 Remote Similarity NPD5696 Approved
0.6514 Remote Similarity NPD8298 Phase 2
0.6505 Remote Similarity NPD7632 Discontinued
0.6505 Remote Similarity NPD5225 Approved
0.6505 Remote Similarity NPD4633 Approved
0.6505 Remote Similarity NPD5226 Approved
0.6505 Remote Similarity NPD5211 Phase 2
0.6505 Remote Similarity NPD5224 Approved
0.6463 Remote Similarity NPD7909 Approved
0.6458 Remote Similarity NPD6672 Approved
0.6458 Remote Similarity NPD5737 Approved
0.6442 Remote Similarity NPD5174 Approved
0.6442 Remote Similarity NPD4754 Approved
0.6442 Remote Similarity NPD5175 Approved
0.6421 Remote Similarity NPD7334 Approved
0.6421 Remote Similarity NPD6409 Approved
0.6421 Remote Similarity NPD6684 Approved
0.6421 Remote Similarity NPD7521 Approved
0.6421 Remote Similarity NPD7146 Approved
0.6421 Remote Similarity NPD5330 Approved
0.64 Remote Similarity NPD4629 Approved
0.64 Remote Similarity NPD5210 Approved
0.6396 Remote Similarity NPD6868 Approved
0.6392 Remote Similarity NPD4753 Phase 2
0.6383 Remote Similarity NPD3668 Phase 3
0.6381 Remote Similarity NPD5141 Approved
0.6364 Remote Similarity NPD4632 Approved
0.6339 Remote Similarity NPD7115 Discovery
0.6337 Remote Similarity NPD7614 Phase 1
0.6321 Remote Similarity NPD4767 Approved
0.6321 Remote Similarity NPD4768 Approved
0.6289 Remote Similarity NPD6903 Approved
0.6283 Remote Similarity NPD6335 Approved
0.6264 Remote Similarity NPD3617 Approved
0.6264 Remote Similarity NPD5784 Clinical (unspecified phase)
0.625 Remote Similarity NPD5279 Phase 3
0.625 Remote Similarity NPD6940 Discontinued
0.625 Remote Similarity NPD3574 Clinical (unspecified phase)
0.625 Remote Similarity NPD6274 Approved
0.6238 Remote Similarity NPD5695 Phase 3
0.6238 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6228 Remote Similarity NPD7101 Approved
0.6228 Remote Similarity NPD7100 Approved
0.6224 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6216 Remote Similarity NPD8133 Approved
0.6204 Remote Similarity NPD4730 Approved
0.6204 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6204 Remote Similarity NPD5168 Approved
0.6204 Remote Similarity NPD4729 Approved
0.6204 Remote Similarity NPD5128 Approved
0.6204 Remote Similarity NPD6415 Discontinued
0.6196 Remote Similarity NPD7645 Phase 2
0.6195 Remote Similarity NPD6317 Approved
0.6195 Remote Similarity NPD6009 Approved
0.617 Remote Similarity NPD4223 Phase 3
0.617 Remote Similarity NPD4221 Approved
0.6168 Remote Similarity NPD6008 Approved
0.6154 Remote Similarity NPD615 Clinical (unspecified phase)
0.6147 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6146 Remote Similarity NPD5329 Approved
0.614 Remote Similarity NPD6313 Approved
0.614 Remote Similarity NPD6314 Approved
0.6121 Remote Similarity NPD6909 Approved
0.6121 Remote Similarity NPD6908 Approved
0.6111 Remote Similarity NPD6942 Approved
0.6111 Remote Similarity NPD7339 Approved
0.61 Remote Similarity NPD5281 Approved
0.61 Remote Similarity NPD5284 Approved
0.6095 Remote Similarity NPD1700 Approved
0.6091 Remote Similarity NPD4634 Approved
0.6091 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6091 Remote Similarity NPD5247 Approved
0.6091 Remote Similarity NPD5169 Approved
0.6091 Remote Similarity NPD5251 Approved
0.6091 Remote Similarity NPD5248 Approved
0.6091 Remote Similarity NPD5135 Approved
0.6091 Remote Similarity NPD5249 Phase 3
0.6091 Remote Similarity NPD5250 Approved
0.6087 Remote Similarity NPD4802 Phase 2
0.6087 Remote Similarity NPD4238 Approved
0.6083 Remote Similarity NPD7736 Approved
0.6082 Remote Similarity NPD6098 Approved
0.6064 Remote Similarity NPD4139 Approved
0.6064 Remote Similarity NPD4692 Approved
0.6061 Remote Similarity NPD6080 Approved
0.6061 Remote Similarity NPD6904 Approved
0.6061 Remote Similarity NPD6673 Approved
0.6053 Remote Similarity NPD8295 Clinical (unspecified phase)
0.605 Remote Similarity NPD7507 Approved
0.6042 Remote Similarity NPD4197 Approved
0.604 Remote Similarity NPD8171 Discontinued
0.6036 Remote Similarity NPD5215 Approved
0.6036 Remote Similarity NPD5216 Approved
0.6036 Remote Similarity NPD5127 Approved
0.6036 Remote Similarity NPD5217 Approved
0.6034 Remote Similarity NPD6319 Approved
0.602 Remote Similarity NPD3573 Approved
0.6019 Remote Similarity NPD7732 Phase 3
0.6017 Remote Similarity NPD7604 Phase 2
0.6 Remote Similarity NPD6700 Approved
0.6 Remote Similarity NPD6701 Clinical (unspecified phase)
0.5983 Remote Similarity NPD5983 Phase 2

Structure

External Identifiers

PubChem CID   64980
ChEMBL   CHEMBL80460
ZINC  

Physicochemical Properties

Molecular Weight:  458.34
ALogP:  0.8313
MLogP:  4.21
XLogP:  7.533
# Rotatable Bonds:  10
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  33

Download Data

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