Natural Product: NPC275839

Natural Product ID:  NPC275839
Common Name:   Acetic Acid (2S,3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-Benzoylamino-17-((S)-1-Dimethylamino-Ethyl)-2-Hydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[A]Phenanthren-4-Yl Ester
IUPAC Name:   [(2S,3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-benzamido-17-[(1S)-1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
Synonyms:  
Molecular Formula:   C32H48N2O4
Standard InCHIKey:  PUFTXDSOJLKZCI-JHSINFGJSA-N
Standard InCHI:  InChI=1S/C32H48N2O4/c1-19(34(5)6)23-14-15-24-22-12-13-26-29(38-20(2)35)28(33-30(37)21-10-8-7-9-11-21)27(36)18-32(26,4)25(22)16-17-31(23,24)3/h7-11,19,22-29,36H,12-18H2,1-6H3,(H,33,37)/t19-,22-,23+,24-,25-,26-,27-,28-,29+,31+,32+/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1[C@@H](N=C(c2ccccc2)O)[C@@H](O)C[C@]2([C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)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
NPO26673 Casearia ilicifolia Species Salicaceae Eukaryota UNPD*
NPO26471 Lenormandia smithiae Species Rhodomelaceae Eukaryota UNPD*
NPO26372 Sarcandra hainanensis Species Chloranthaceae Eukaryota UNPD*
NPO27888 Sarcococca saligna Species Buxaceae Eukaryota PMID[14643329]
NPO27888 Sarcococca saligna Species Buxaceae Eukaryota PMID[14584959]
NPO26446 Lecanora frustulosa Species Lecanoraceae Eukaryota UNPD*
NPO26423 Scaevola racemigera Species Goodeniaceae Eukaryota UNPD*
NPO25707 Euchaeta russelli Species Euchaetidae Eukaryota UNPD*
NPO23214 Drosera congolana Species Droseraceae Eukaryota UNPD*
NPO26156 Mahurea palustris Species Calophyllaceae Eukaryota UNPD*
NPO18582 Cosmospora butyri Species Nectriaceae Eukaryota UNPD*
NPO26204 Arisaema curvatum Species Araceae Eukaryota UNPD*
NPO26556 Pterocephalus pinardi Species Caprifoliaceae Eukaryota UNPD*
NPO23047 Streptomyces griseoviridis Species Streptomycetaceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2668 Individual Protein Acetylcholinesterase Torpedo californica IC50 = 227900 nM 14584959
NPT2668 Individual Protein Acetylcholinesterase Torpedo californica Ki = 126000 nM 14584959
NPT439 Individual Protein Butyrylcholinesterase Homo sapiens IC50 = 17990 nM 14584959
NPT439 Individual Protein Butyrylcholinesterase Homo sapiens Ki = 20300 nM 14584959
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 229086.77 nM 14643329

  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 NPC275839 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
0.8865 High Similarity NPC132847
0.875 High Similarity NPC217801
0.8639 High Similarity NPC473922
0.8636 High Similarity NPC235460
0.8519 High Similarity NPC203005
0.8278 Intermediate Similarity NPC475578
0.8158 Intermediate Similarity NPC328824
0.8085 Intermediate Similarity NPC109151
0.8052 Intermediate Similarity NPC476757
0.7927 Intermediate Similarity NPC476749
0.7905 Intermediate Similarity NPC3202
0.7746 Intermediate Similarity NPC242692
0.773 Intermediate Similarity NPC476750
0.7702 Intermediate Similarity NPC93343
0.7692 Intermediate Similarity NPC44649
0.7692 Intermediate Similarity NPC472458
0.7616 Intermediate Similarity NPC64897
0.7616 Intermediate Similarity NPC90693
0.7529 Intermediate Similarity NPC475427
0.7518 Intermediate Similarity NPC165396
0.7419 Intermediate Similarity NPC153007
0.7405 Intermediate Similarity NPC262216
0.7391 Intermediate Similarity NPC470274
0.7372 Intermediate Similarity NPC239770
0.7358 Intermediate Similarity NPC237240
0.7358 Intermediate Similarity NPC31171
0.7349 Intermediate Similarity NPC73644
0.7297 Intermediate Similarity NPC237286
0.7292 Intermediate Similarity NPC472862
0.7222 Intermediate Similarity NPC201692
0.7219 Intermediate Similarity NPC199738
0.7219 Intermediate Similarity NPC210950
0.7207 Intermediate Similarity NPC327699
0.7197 Intermediate Similarity NPC262324
0.7181 Intermediate Similarity NPC182333
0.7181 Intermediate Similarity NPC273336
0.7179 Intermediate Similarity NPC478140
0.7179 Intermediate Similarity NPC471864
0.7168 Intermediate Similarity NPC476751
0.716 Intermediate Similarity NPC94602
0.7143 Intermediate Similarity NPC124690
0.7143 Intermediate Similarity NPC205
0.7143 Intermediate Similarity NPC42423
0.7143 Intermediate Similarity NPC172769
0.7143 Intermediate Similarity NPC246079
0.7143 Intermediate Similarity NPC166521
0.7143 Intermediate Similarity NPC184195
0.7143 Intermediate Similarity NPC281470
0.7143 Intermediate Similarity NPC156348
0.7133 Intermediate Similarity NPC77691
0.7115 Intermediate Similarity NPC48929
0.7107 Intermediate Similarity NPC79921
0.7099 Intermediate Similarity NPC173934
0.7097 Intermediate Similarity NPC313663
0.7095 Intermediate Similarity NPC190663
0.7089 Intermediate Similarity NPC243893
0.7086 Intermediate Similarity NPC4974
0.707 Intermediate Similarity NPC11266
0.7059 Intermediate Similarity NPC295478
0.7042 Intermediate Similarity NPC472359
0.7037 Intermediate Similarity NPC260194
0.7032 Intermediate Similarity NPC246913
0.7 Intermediate Similarity NPC160493
0.7 Intermediate Similarity NPC469360
0.7 Intermediate Similarity NPC261709
0.7 Intermediate Similarity NPC111586
0.7 Intermediate Similarity NPC108852
0.6995 Remote Similarity NPC108276
0.6995 Remote Similarity NPC163578
0.6993 Remote Similarity NPC5486
0.6989 Remote Similarity NPC473558
0.6974 Remote Similarity NPC472414
0.6973 Remote Similarity NPC215892
0.6973 Remote Similarity NPC242662
0.6973 Remote Similarity NPC191193
0.6973 Remote Similarity NPC321072
0.6962 Remote Similarity NPC175870
0.6957 Remote Similarity NPC475128
0.6954 Remote Similarity NPC473871
0.6954 Remote Similarity NPC473870
0.6951 Remote Similarity NPC473602
0.6944 Remote Similarity NPC80834
0.6944 Remote Similarity NPC469968
0.694 Remote Similarity NPC40539
0.694 Remote Similarity NPC453583
0.694 Remote Similarity NPC473300
0.694 Remote Similarity NPC475336
0.6937 Remote Similarity NPC197921
0.6935 Remote Similarity NPC208553
0.6935 Remote Similarity NPC181964
0.6935 Remote Similarity NPC471606
0.6928 Remote Similarity NPC45821
0.6919 Remote Similarity NPC15506
0.6918 Remote Similarity NPC473869
0.6908 Remote Similarity NPC307139
0.6902 Remote Similarity NPC33372
0.6902 Remote Similarity NPC67246
0.6899 Remote Similarity NPC203486
0.6898 Remote Similarity NPC473490
0.6894 Remote Similarity NPC116742
0.6894 Remote Similarity NPC139243
0.6894 Remote Similarity NPC91953
0.689 Remote Similarity NPC472556
0.689 Remote Similarity NPC96447
0.6887 Remote Similarity NPC473889
0.6875 Remote Similarity NPC120667
0.6875 Remote Similarity NPC278272
0.6875 Remote Similarity NPC475373
0.6872 Remote Similarity NPC475345
0.6871 Remote Similarity NPC91703
0.6867 Remote Similarity NPC45777
0.6867 Remote Similarity NPC477061
0.6863 Remote Similarity NPC471758
0.6852 Remote Similarity NPC470617
0.6852 Remote Similarity NPC470616
0.6848 Remote Similarity NPC317882
0.6848 Remote Similarity NPC471754
0.6842 Remote Similarity NPC472415
0.6839 Remote Similarity NPC71271
0.6839 Remote Similarity NPC230331
0.6833 Remote Similarity NPC475649
0.6829 Remote Similarity NPC475122
0.6829 Remote Similarity NPC310621
0.6826 Remote Similarity NPC4108
0.6826 Remote Similarity NPC472761
0.6824 Remote Similarity NPC470820
0.6821 Remote Similarity NPC253738
0.6818 Remote Similarity NPC470158
0.6818 Remote Similarity NPC475933
0.6818 Remote Similarity NPC278097
0.6815 Remote Similarity NPC72915
0.68 Remote Similarity NPC30171
0.6797 Remote Similarity NPC472373
0.6797 Remote Similarity NPC473938
0.6792 Remote Similarity NPC126516
0.679 Remote Similarity NPC248287
0.679 Remote Similarity NPC234548
0.6788 Remote Similarity NPC472572
0.6788 Remote Similarity NPC470159
0.6788 Remote Similarity NPC158663
0.6788 Remote Similarity NPC70403
0.6788 Remote Similarity NPC177940
0.6788 Remote Similarity NPC174982
0.6788 Remote Similarity NPC171525
0.6788 Remote Similarity NPC96903
0.6788 Remote Similarity NPC469349
0.6788 Remote Similarity NPC470157
0.6788 Remote Similarity NPC471104
0.6788 Remote Similarity NPC313414
0.6788 Remote Similarity NPC200471
0.6788 Remote Similarity NPC476973
0.6788 Remote Similarity NPC472575
0.6788 Remote Similarity NPC473088
0.6788 Remote Similarity NPC29704
0.6788 Remote Similarity NPC472568
0.6788 Remote Similarity NPC472571
0.6788 Remote Similarity NPC184817
0.6786 Remote Similarity NPC279442
0.6779 Remote Similarity NPC84129
0.6776 Remote Similarity NPC293831
0.6776 Remote Similarity NPC369
0.6774 Remote Similarity NPC253681
0.6774 Remote Similarity NPC476972
0.6774 Remote Similarity NPC476971
0.6768 Remote Similarity NPC35212
0.6768 Remote Similarity NPC163087
0.6765 Remote Similarity NPC477157
0.6765 Remote Similarity NPC477156
0.6761 Remote Similarity NPC36497
0.676 Remote Similarity NPC476113
0.6757 Remote Similarity NPC306001
0.6757 Remote Similarity NPC275170
0.6757 Remote Similarity NPC471629
0.6757 Remote Similarity NPC206211
0.6757 Remote Similarity NPC324251
0.6757 Remote Similarity NPC473400
0.6755 Remote Similarity NPC183339
0.6755 Remote Similarity NPC80150
0.6755 Remote Similarity NPC133389
0.6755 Remote Similarity NPC234337
0.6753 Remote Similarity NPC114927
0.6752 Remote Similarity NPC183722
0.6752 Remote Similarity NPC475138
0.6748 Remote Similarity NPC224491
0.6748 Remote Similarity NPC164743
0.6736 Remote Similarity NPC64642
0.6736 Remote Similarity NPC472982
0.6736 Remote Similarity NPC149455
0.6733 Remote Similarity NPC310467
0.6733 Remote Similarity NPC106593
0.6733 Remote Similarity NPC473860
0.6732 Remote Similarity NPC12016
0.6732 Remote Similarity NPC478058
0.6731 Remote Similarity NPC58061
0.6731 Remote Similarity NPC40488
0.673 Remote Similarity NPC228511
0.6727 Remote Similarity NPC188865
0.6727 Remote Similarity NPC57628
0.6727 Remote Similarity NPC235557
0.6727 Remote Similarity NPC252133

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC275839 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
0.7662 Intermediate Similarity NPD2174 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD7274 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD7741 Discontinued
0.7143 Intermediate Similarity NPD8131 Suspended
0.7134 Intermediate Similarity NPD8148 Approved
0.7134 Intermediate Similarity NPD8147 Approved
0.7097 Intermediate Similarity NPD7714 Approved
0.7097 Intermediate Similarity NPD7715 Approved
0.698 Remote Similarity NPD7725 Approved
0.6943 Remote Similarity NPD6346 Approved
0.6935 Remote Similarity NPD8485 Approved
0.6933 Remote Similarity NPD7740 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7997 Clinical (unspecified phase)
0.6908 Remote Similarity NPD6025 Phase 1
0.6892 Remote Similarity NPD7522 Discontinued
0.6829 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6825 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6824 Remote Similarity NPD3123 Discovery
0.6798 Remote Similarity NPD8470 Clinical (unspecified phase)
0.679 Remote Similarity NPD4725 Approved
0.679 Remote Similarity NPD4721 Approved
0.679 Remote Similarity NPD4726 Approved
0.6776 Remote Similarity NPD5618 Discontinued
0.6768 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6768 Remote Similarity NPD6676 Phase 2
0.674 Remote Similarity NPD8658 Clinical (unspecified phase)
0.6733 Remote Similarity NPD4479 Discontinued
0.6728 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6713 Remote Similarity NPD5705 Approved
0.6713 Remote Similarity NPD5706 Approved
0.6713 Remote Similarity NPD5704 Approved
0.6707 Remote Similarity NPD3638 Discontinued
0.6703 Remote Similarity NPD8361 Approved
0.6703 Remote Similarity NPD8360 Approved
0.6688 Remote Similarity NPD2605 Approved
0.6688 Remote Similarity NPD2613 Approved
0.6688 Remote Similarity NPD2606 Approved
0.6687 Remote Similarity NPD6667 Approved
0.6687 Remote Similarity NPD6666 Approved
0.6667 Remote Similarity NPD2173 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2570 Approved
0.6667 Remote Similarity NPD4745 Approved
0.6667 Remote Similarity NPD2571 Approved
0.6667 Remote Similarity NPD2575 Approved
0.6667 Remote Similarity NPD4746 Phase 3
0.6667 Remote Similarity NPD3615 Approved
0.6667 Remote Similarity NPD3089 Approved
0.6667 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2573 Approved
0.6667 Remote Similarity NPD2574 Discontinued
0.6667 Remote Similarity NPD3088 Approved
0.6667 Remote Similarity NPD3616 Approved
0.6667 Remote Similarity NPD2566 Approved
0.6667 Remote Similarity NPD7253 Phase 3
0.6667 Remote Similarity NPD3087 Approved
0.6667 Remote Similarity NPD3090 Approved
0.6667 Remote Similarity NPD3614 Approved
0.6647 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6646 Remote Similarity NPD5155 Approved
0.6646 Remote Similarity NPD5156 Approved
0.6632 Remote Similarity NPD7497 Discontinued
0.6624 Remote Similarity NPD5736 Approved
0.6613 Remote Similarity NPD8435 Approved
0.661 Remote Similarity NPD7315 Approved
0.6605 Remote Similarity NPD3553 Approved
0.6605 Remote Similarity NPD3554 Approved
0.6605 Remote Similarity NPD3555 Approved
0.6605 Remote Similarity NPD3552 Approved
0.6604 Remote Similarity NPD8011 Discontinued
0.66 Remote Similarity NPD6775 Clinical (unspecified phase)
0.66 Remote Similarity NPD4230 Clinical (unspecified phase)
0.6595 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6591 Remote Similarity NPD6746 Phase 2
0.6585 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6584 Remote Similarity NPD4686 Approved
0.6584 Remote Similarity NPD4685 Phase 3
0.6584 Remote Similarity NPD4684 Phase 3
0.6582 Remote Similarity NPD3595 Approved
0.6582 Remote Similarity NPD3594 Approved
0.6582 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6576 Remote Similarity NPD8407 Phase 2
0.6575 Remote Similarity NPD5190 Phase 2
0.6566 Remote Similarity NPD3400 Discontinued
0.6562 Remote Similarity NPD8118 Discontinued
0.6559 Remote Similarity NPD7906 Approved
0.6558 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6558 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6552 Remote Similarity NPD7738 Approved
0.6552 Remote Similarity NPD7737 Approved
0.6541 Remote Similarity NPD4738 Phase 2
0.6536 Remote Similarity NPD4481 Phase 3
0.6524 Remote Similarity NPD6522 Clinical (unspecified phase)
0.6522 Remote Similarity NPD5120 Approved
0.6522 Remote Similarity NPD5119 Approved
0.6522 Remote Similarity NPD5121 Approved
0.6522 Remote Similarity NPD2238 Phase 2
0.6519 Remote Similarity NPD3635 Approved
0.6519 Remote Similarity NPD3636 Approved
0.6519 Remote Similarity NPD3637 Approved
0.6519 Remote Similarity NPD4603 Phase 2
0.6517 Remote Similarity NPD3051 Approved
0.6516 Remote Similarity NPD7249 Approved
0.6516 Remote Similarity NPD7250 Approved
0.6513 Remote Similarity NPD2227 Clinical (unspecified phase)
0.6509 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6505 Remote Similarity NPD4663 Approved
0.6503 Remote Similarity NPD8368 Discontinued
0.65 Remote Similarity NPD4619 Approved
0.65 Remote Similarity NPD4621 Approved
0.6494 Remote Similarity NPD7046 Clinical (unspecified phase)
0.6488 Remote Similarity NPD7236 Approved
0.6481 Remote Similarity NPD6086 Phase 2
0.648 Remote Similarity NPD2969 Approved
0.648 Remote Similarity NPD2970 Approved
0.6478 Remote Similarity NPD4617 Approved
0.6478 Remote Similarity NPD5203 Approved
0.6478 Remote Similarity NPD4620 Approved
0.6478 Remote Similarity NPD5201 Approved
0.6474 Remote Similarity NPD6072 Discontinued
0.6474 Remote Similarity NPD4659 Approved
0.6463 Remote Similarity NPD1753 Discontinued
0.646 Remote Similarity NPD6663 Approved
0.6453 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6452 Remote Similarity NPD4218 Approved
0.6452 Remote Similarity NPD2608 Approved
0.6452 Remote Similarity NPD4216 Approved
0.6452 Remote Similarity NPD2609 Approved
0.6452 Remote Similarity NPD4217 Approved
0.6452 Remote Similarity NPD3131 Approved
0.6452 Remote Similarity NPD4807 Approved
0.6452 Remote Similarity NPD4215 Approved
0.6452 Remote Similarity NPD2612 Approved
0.6452 Remote Similarity NPD4806 Approved
0.6452 Remote Similarity NPD2610 Approved
0.6452 Remote Similarity NPD3132 Approved
0.6452 Remote Similarity NPD2611 Approved
0.6442 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6438 Remote Similarity NPD6406 Approved
0.6438 Remote Similarity NPD3136 Phase 2
0.6434 Remote Similarity NPD4719 Phase 2
0.6433 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6432 Remote Similarity NPD4578 Approved
0.6432 Remote Similarity NPD4577 Approved
0.6432 Remote Similarity NPD5035 Approved
0.6429 Remote Similarity NPD42 Phase 2
0.6429 Remote Similarity NPD6042 Phase 2
0.6429 Remote Similarity NPD8323 Discontinued
0.6424 Remote Similarity NPD7939 Discontinued
0.642 Remote Similarity NPD7773 Phase 2
0.6415 Remote Similarity NPD5204 Approved
0.6415 Remote Similarity NPD3664 Approved
0.6415 Remote Similarity NPD3663 Approved
0.6415 Remote Similarity NPD3662 Phase 3
0.6415 Remote Similarity NPD3661 Approved
0.6412 Remote Similarity NPD3645 Discontinued
0.641 Remote Similarity NPD6624 Discontinued
0.641 Remote Similarity NPD7814 Approved
0.6404 Remote Similarity NPD7133 Discontinued
0.64 Remote Similarity NPD4335 Clinical (unspecified phase)
0.6395 Remote Similarity NPD7239 Suspended
0.6392 Remote Similarity NPD2625 Approved
0.6392 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6392 Remote Similarity NPD2628 Approved
0.6392 Remote Similarity NPD2159 Approved
0.6392 Remote Similarity NPD4103 Phase 2
0.6392 Remote Similarity NPD2627 Approved
0.6392 Remote Similarity NPD2626 Approved
0.6392 Remote Similarity NPD2160 Approved
0.6386 Remote Similarity NPD6789 Approved
0.6384 Remote Similarity NPD7833 Phase 2
0.6384 Remote Similarity NPD7831 Phase 2
0.6384 Remote Similarity NPD7832 Clinical (unspecified phase)
0.6384 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6383 Remote Similarity NPD7243 Clinical (unspecified phase)
0.638 Remote Similarity NPD7431 Approved
0.638 Remote Similarity NPD7430 Approved
0.6379 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7494 Clinical (unspecified phase)
0.6364 Remote Similarity NPD1710 Approved
0.6358 Remote Similarity NPD4766 Approved
0.6358 Remote Similarity NPD6407 Approved
0.6358 Remote Similarity NPD6405 Approved
0.6354 Remote Similarity NPD2489 Approved
0.6354 Remote Similarity NPD27 Approved
0.6351 Remote Similarity NPD5239 Approved
0.6351 Remote Similarity NPD5235 Approved
0.6351 Remote Similarity NPD5240 Approved
0.6351 Remote Similarity NPD5236 Approved
0.6351 Remote Similarity NPD5237 Approved
0.6349 Remote Similarity NPD7861 Discontinued
0.6348 Remote Similarity NPD5709 Phase 3
0.6347 Remote Similarity NPD7037 Approved
0.6346 Remote Similarity NPD4480 Approved
0.6337 Remote Similarity NPD4727 Phase 1
0.6331 Remote Similarity NPD3692 Discontinued
0.6327 Remote Similarity NPD4095 Clinical (unspecified phase)
0.6327 Remote Similarity NPD6038 Clinical (unspecified phase)
0.6325 Remote Similarity NPD4173 Approved
0.6325 Remote Similarity NPD4172 Approved
0.6324 Remote Similarity NPD5030 Phase 2

Structure

External Identifiers

PubChem CID   15043261
ChEMBL   CHEMBL413039
ZINC  

Physicochemical Properties

Molecular Weight:  524.36
ALogP:  0.2926
MLogP:  4.32
XLogP:  8.665
# Rotatable Bonds:  14
Polar Surface Area:  82.36
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  38

Download Data

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Biological Activities  
Similar NPs/Drugs