Natural Product: NPC257847

Natural Product ID:  NPC257847
Common Name:   (2R)-Pterosin B 14-O-Beta-(4'-P-Coumaroyl)-Glucopyranoside
IUPAC Name:   [(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2R)-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]ethoxy]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Synonyms:  
Molecular Formula:   C29H34O9
Standard InCHIKey:  DGOOMWFMTZLGGS-PBRNXLBUSA-N
Standard InCHI:  InChI=1S/C29H34O9/c1-15-12-19-13-16(2)25(33)24(19)17(3)21(15)10-11-36-29-27(35)26(34)28(22(14-30)37-29)38-23(32)9-6-18-4-7-20(31)8-5-18/h4-9,12,16,22,26-31,34-35H,10-11,13-14H2,1-3H3/b9-6+/t16-,22-,26-,27-,28-,29-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OCCc2c(C)cc3c(c2C)C(=O)[C@@H](C3)C)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)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
NPO16170 Xerula longipes Species Physalacriaceae Eukaryota UNPD*
NPO15306 Smilax japonica Species Smilacaceae Eukaryota UNPD*
NPO7056 Pedinophyllum interruptum Species Plagiochilaceae Eukaryota UNPD*
NPO13360 Passiflora racemosa Species Passifloraceae Eukaryota UNPD*
NPO15726 Rudbeckia subtomentosa Species Asteraceae Eukaryota UNPD*
NPO11567 Picradeniopsis absinthifolia Species Asteraceae Eukaryota UNPD*
NPO26770 Pteris multifida Species Pteridaceae Eukaryota Whole plant PMID[18181575]
NPO14630 Boronia ramosa Species Rutaceae Eukaryota UNPD*
NPO14077 Chamaecyparis lawsoniana Species Cupressaceae Eukaryota UNPD*
NPO12294 Kydia calycina Species Malvaceae Eukaryota UNPD*
NPO1890 Lidbeckia pectinata Species Asteraceae Eukaryota UNPD*
NPO12517 Tylophora cordifolia Species Apocynaceae Eukaryota UNPD*
NPO19369 Bacillus thuringiensis Species Bacillaceae Bacteria UNPD*
NPO2312 Encephalosphaera lasiandra Species Acanthaceae Eukaryota UNPD*
NPO26770 Pteris multifida Species Pteridaceae Eukaryota UNPD*
NPO13626 Aconitum karakolicum Species Ranunculaceae Eukaryota UNPD*
NPO21926 Pseudomonas aeruginosa Species Pseudomonadaceae Bacteria UNPD*
NPO15818 Lycianthes marlipoensis Species Solanaceae Eukaryota UNPD*
NPO13236 Viguiera multiflora Species Asteraceae Eukaryota UNPD*
NPO11601 Chandonanthus hirtellus Species Anastrophyllaceae Eukaryota UNPD*
NPO3494 Swietenia mahagoni Species Meliaceae Eukaryota UNPD*
NPO9155 Kageneckia angustifolia Species Rosaceae Eukaryota UNPD*
NPO10624 Solidago wrightii Species Asteraceae Eukaryota UNPD*
NPO7868 Xeromphis obovata NA NA NA UNPD*
NPO8866 Papaver atlanticum Species Papaveraceae Eukaryota UNPD*
NPO8611 Cornutia grandifolia Species Lamiaceae Eukaryota UNPD*
NPO15094 Coriaria myrtifolia Species Coriariaceae Eukaryota UNPD*
NPO2756 Emerita analoga Species Hippidae Eukaryota UNPD*
NPO27787 Pseudocentrotus depressus Species Echinidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT65 Cell Line HepG2 Homo sapiens IC50 > 100000 nM 18181575
NPT91 Cell Line KB Homo sapiens IC50 = 45340 nM 18181575
NPT114 Cell Line LoVo Homo sapiens IC50 > 400000 nM 18181575
NPT111 Cell Line K562 Homo sapiens IC50 = 64560 nM 18181575

  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 NPC257847 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
0.9603 High Similarity NPC130489
0.9603 High Similarity NPC208676
0.8986 High Similarity NPC202391
0.8986 High Similarity NPC296659
0.8824 High Similarity NPC158546
0.8824 High Similarity NPC289021
0.8782 High Similarity NPC148323
0.8782 High Similarity NPC283480
0.8767 High Similarity NPC471345
0.8758 High Similarity NPC35097
0.875 High Similarity NPC120728
0.8718 High Similarity NPC82190
0.8718 High Similarity NPC174599
0.8718 High Similarity NPC192219
0.8693 High Similarity NPC96599
0.8667 High Similarity NPC478250
0.8654 High Similarity NPC209393
0.8654 High Similarity NPC205172
0.8645 High Similarity NPC478235
0.8636 High Similarity NPC267469
0.8636 High Similarity NPC240592
0.8636 High Similarity NPC87630
0.8636 High Similarity NPC179128
0.8636 High Similarity NPC117346
0.8636 High Similarity NPC116292
0.8625 High Similarity NPC97637
0.8625 High Similarity NPC187934
0.8625 High Similarity NPC145847
0.8618 High Similarity NPC208293
0.8618 High Similarity NPC473147
0.8609 High Similarity NPC77922
0.8609 High Similarity NPC473281
0.8609 High Similarity NPC194938
0.8609 High Similarity NPC184464
0.8609 High Similarity NPC251062
0.8608 High Similarity NPC206641
0.8608 High Similarity NPC208651
0.859 High Similarity NPC229354
0.858 High Similarity NPC469419
0.8571 High Similarity NPC109990
0.8571 High Similarity NPC478236
0.8571 High Similarity NPC478234
0.8562 High Similarity NPC477627
0.8553 High Similarity NPC53139
0.8543 High Similarity NPC186296
0.8516 High Similarity NPC162569
0.8516 High Similarity NPC247219
0.8516 High Similarity NPC35160
0.8497 Intermediate Similarity NPC320734
0.8491 Intermediate Similarity NPC187205
0.8481 Intermediate Similarity NPC3449
0.8466 Intermediate Similarity NPC469396
0.8466 Intermediate Similarity NPC469459
0.8466 Intermediate Similarity NPC469458
0.8466 Intermediate Similarity NPC88176
0.8466 Intermediate Similarity NPC149002
0.8462 Intermediate Similarity NPC474620
0.8462 Intermediate Similarity NPC77310
0.8452 Intermediate Similarity NPC161955
0.8442 Intermediate Similarity NPC470330
0.8442 Intermediate Similarity NPC473149
0.8421 Intermediate Similarity NPC204644
0.8411 Intermediate Similarity NPC7518
0.8411 Intermediate Similarity NPC154262
0.8411 Intermediate Similarity NPC159387
0.8411 Intermediate Similarity NPC137501
0.8408 Intermediate Similarity NPC194705
0.8405 Intermediate Similarity NPC178281
0.84 Intermediate Similarity NPC31745
0.84 Intermediate Similarity NPC220936
0.8377 Intermediate Similarity NPC291153
0.8365 Intermediate Similarity NPC475484
0.8364 Intermediate Similarity NPC21956
0.8355 Intermediate Similarity NPC477595
0.8354 Intermediate Similarity NPC474534
0.8354 Intermediate Similarity NPC474533
0.8344 Intermediate Similarity NPC475379
0.8333 Intermediate Similarity NPC117943
0.8333 Intermediate Similarity NPC293568
0.8333 Intermediate Similarity NPC156393
0.8323 Intermediate Similarity NPC195972
0.8311 Intermediate Similarity NPC114116
0.8301 Intermediate Similarity NPC293154
0.8299 Intermediate Similarity NPC46137
0.8299 Intermediate Similarity NPC478255
0.8299 Intermediate Similarity NPC235294
0.8293 Intermediate Similarity NPC478020
0.8293 Intermediate Similarity NPC478022
0.8282 Intermediate Similarity NPC146837
0.8282 Intermediate Similarity NPC278329
0.8276 Intermediate Similarity NPC288416
0.8263 Intermediate Similarity NPC148185
0.8263 Intermediate Similarity NPC477617
0.8261 Intermediate Similarity NPC49173
0.8258 Intermediate Similarity NPC143246
0.8258 Intermediate Similarity NPC475539
0.8258 Intermediate Similarity NPC212808
0.8258 Intermediate Similarity NPC119773
0.8258 Intermediate Similarity NPC474268
0.8255 Intermediate Similarity NPC169398
0.825 Intermediate Similarity NPC472835
0.8247 Intermediate Similarity NPC471028
0.8243 Intermediate Similarity NPC471095
0.8243 Intermediate Similarity NPC471066
0.8239 Intermediate Similarity NPC469699
0.8235 Intermediate Similarity NPC148080
0.8235 Intermediate Similarity NPC469623
0.8231 Intermediate Similarity NPC469705
0.8231 Intermediate Similarity NPC17968
0.8231 Intermediate Similarity NPC470122
0.8219 Intermediate Similarity NPC225307
0.821 Intermediate Similarity NPC179914
0.8205 Intermediate Similarity NPC120536
0.8204 Intermediate Similarity NPC298778
0.8199 Intermediate Similarity NPC475378
0.8194 Intermediate Similarity NPC475528
0.8193 Intermediate Similarity NPC63470
0.8188 Intermediate Similarity NPC164172
0.8187 Intermediate Similarity NPC474621
0.8187 Intermediate Similarity NPC477860
0.8187 Intermediate Similarity NPC478232
0.8187 Intermediate Similarity NPC185103
0.8187 Intermediate Similarity NPC475161
0.8187 Intermediate Similarity NPC474622
0.8182 Intermediate Similarity NPC475213
0.8182 Intermediate Similarity NPC265600
0.8182 Intermediate Similarity NPC152796
0.8182 Intermediate Similarity NPC478026
0.8176 Intermediate Similarity NPC469456
0.8176 Intermediate Similarity NPC254819
0.8176 Intermediate Similarity NPC225384
0.8176 Intermediate Similarity NPC246869
0.8176 Intermediate Similarity NPC138777
0.8176 Intermediate Similarity NPC469418
0.8171 Intermediate Similarity NPC101116
0.8171 Intermediate Similarity NPC216752
0.8171 Intermediate Similarity NPC212099
0.8166 Intermediate Similarity NPC474345
0.8166 Intermediate Similarity NPC193377
0.8166 Intermediate Similarity NPC68381
0.8165 Intermediate Similarity NPC104172
0.8165 Intermediate Similarity NPC182350
0.8165 Intermediate Similarity NPC88886
0.8158 Intermediate Similarity NPC49597
0.8155 Intermediate Similarity NPC183441
0.8153 Intermediate Similarity NPC469448
0.8153 Intermediate Similarity NPC189631
0.8153 Intermediate Similarity NPC472339
0.8153 Intermediate Similarity NPC28776
0.8153 Intermediate Similarity NPC473138
0.8153 Intermediate Similarity NPC81835
0.8148 Intermediate Similarity NPC257309
0.8148 Intermediate Similarity NPC177742
0.8148 Intermediate Similarity NPC4747
0.8148 Intermediate Similarity NPC226759
0.8148 Intermediate Similarity NPC104275
0.8148 Intermediate Similarity NPC29552
0.8141 Intermediate Similarity NPC170055
0.8137 Intermediate Similarity NPC172920
0.8137 Intermediate Similarity NPC10205
0.8137 Intermediate Similarity NPC156624
0.8133 Intermediate Similarity NPC178851
0.8129 Intermediate Similarity NPC96447
0.8129 Intermediate Similarity NPC63304
0.8129 Intermediate Similarity NPC100242
0.8125 Intermediate Similarity NPC157898
0.8121 Intermediate Similarity NPC161151
0.8121 Intermediate Similarity NPC100420
0.8118 Intermediate Similarity NPC469397
0.8118 Intermediate Similarity NPC66820
0.8118 Intermediate Similarity NPC170018
0.8118 Intermediate Similarity NPC92403
0.8118 Intermediate Similarity NPC475054
0.8118 Intermediate Similarity NPC475613
0.8118 Intermediate Similarity NPC76112
0.8117 Intermediate Similarity NPC65833
0.8113 Intermediate Similarity NPC472657
0.8113 Intermediate Similarity NPC472658
0.8113 Intermediate Similarity NPC140151
0.8107 Intermediate Similarity NPC316539
0.8107 Intermediate Similarity NPC199357
0.8107 Intermediate Similarity NPC472054
0.8101 Intermediate Similarity NPC279442
0.8101 Intermediate Similarity NPC111785
0.8098 Intermediate Similarity NPC314795
0.8095 Intermediate Similarity NPC478021
0.8095 Intermediate Similarity NPC158673
0.8095 Intermediate Similarity NPC52598
0.8092 Intermediate Similarity NPC477592
0.8092 Intermediate Similarity NPC469364
0.8092 Intermediate Similarity NPC65262
0.8092 Intermediate Similarity NPC101686
0.8086 Intermediate Similarity NPC10945
0.8086 Intermediate Similarity NPC471405
0.8082 Intermediate Similarity NPC471157
0.8079 Intermediate Similarity NPC263829
0.8079 Intermediate Similarity NPC123988
0.8077 Intermediate Similarity NPC103910
0.8077 Intermediate Similarity NPC48130
0.8077 Intermediate Similarity NPC84568

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC257847 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
0.8118 Intermediate Similarity NPD8313 Approved
0.8118 Intermediate Similarity NPD8312 Approved
0.8039 Intermediate Similarity NPD7266 Discontinued
0.8 Intermediate Similarity NPD6559 Discontinued
0.8 Intermediate Similarity NPD7685 Pre-registration
0.7898 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7885 Intermediate Similarity NPD4628 Phase 3
0.7826 Intermediate Similarity NPD7458 Discontinued
0.7818 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD7228 Approved
0.7748 Intermediate Similarity NPD3764 Approved
0.7744 Intermediate Similarity NPD8455 Phase 2
0.7719 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD7075 Discontinued
0.7683 Intermediate Similarity NPD37 Approved
0.7669 Intermediate Similarity NPD4380 Phase 2
0.7665 Intermediate Similarity NPD6234 Discontinued
0.7651 Intermediate Similarity NPD4965 Approved
0.7651 Intermediate Similarity NPD4967 Phase 2
0.7651 Intermediate Similarity NPD4966 Approved
0.7584 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD8150 Discontinued
0.7558 Intermediate Similarity NPD7799 Discontinued
0.7531 Intermediate Similarity NPD6273 Approved
0.753 Intermediate Similarity NPD7819 Suspended
0.753 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7527 Intermediate Similarity NPD8320 Phase 1
0.7527 Intermediate Similarity NPD8319 Approved
0.7514 Intermediate Similarity NPD5844 Phase 1
0.75 Intermediate Similarity NPD7473 Discontinued
0.7483 Intermediate Similarity NPD5125 Phase 3
0.7483 Intermediate Similarity NPD5126 Approved
0.7483 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7473 Intermediate Similarity NPD7435 Discontinued
0.7471 Intermediate Similarity NPD7074 Phase 3
0.7471 Intermediate Similarity NPD7199 Phase 2
0.7468 Intermediate Similarity NPD6663 Approved
0.7457 Intermediate Similarity NPD3818 Discontinued
0.7438 Intermediate Similarity NPD8166 Discontinued
0.7434 Intermediate Similarity NPD5736 Approved
0.7418 Intermediate Similarity NPD6535 Approved
0.7418 Intermediate Similarity NPD6534 Approved
0.7414 Intermediate Similarity NPD7054 Approved
0.7394 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD7700 Phase 2
0.7391 Intermediate Similarity NPD7699 Phase 2
0.7391 Intermediate Similarity NPD6190 Approved
0.7386 Intermediate Similarity NPD7240 Approved
0.7375 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD7472 Approved
0.7368 Intermediate Similarity NPD8127 Discontinued
0.7365 Intermediate Similarity NPD6801 Discontinued
0.7329 Intermediate Similarity NPD7003 Approved
0.7329 Intermediate Similarity NPD3750 Approved
0.7326 Intermediate Similarity NPD6823 Phase 2
0.7326 Intermediate Similarity NPD6232 Discontinued
0.7312 Intermediate Similarity NPD6777 Approved
0.7312 Intermediate Similarity NPD6780 Approved
0.7312 Intermediate Similarity NPD6779 Approved
0.7312 Intermediate Similarity NPD6782 Approved
0.7312 Intermediate Similarity NPD6778 Approved
0.7312 Intermediate Similarity NPD6781 Approved
0.7312 Intermediate Similarity NPD6776 Approved
0.7301 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD2438 Suspended
0.7296 Intermediate Similarity NPD5406 Approved
0.7296 Intermediate Similarity NPD5408 Approved
0.7296 Intermediate Similarity NPD5404 Approved
0.7296 Intermediate Similarity NPD5405 Approved
0.7289 Intermediate Similarity NPD3226 Approved
0.7288 Intermediate Similarity NPD7251 Discontinued
0.7283 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD8151 Discontinued
0.7273 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD6213 Phase 3
0.7268 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD6212 Phase 3
0.7261 Intermediate Similarity NPD6355 Discontinued
0.725 Intermediate Similarity NPD2346 Discontinued
0.7247 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7247 Intermediate Similarity NPD7808 Phase 3
0.724 Intermediate Similarity NPD7874 Approved
0.724 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD7236 Approved
0.7237 Intermediate Similarity NPD1876 Approved
0.7235 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD6797 Phase 2
0.723 Intermediate Similarity NPD9545 Approved
0.7229 Intermediate Similarity NPD7239 Suspended
0.7219 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD7999 Approved
0.7202 Intermediate Similarity NPD7411 Suspended
0.7196 Intermediate Similarity NPD7698 Approved
0.7196 Intermediate Similarity NPD7696 Phase 3
0.7196 Intermediate Similarity NPD7697 Approved
0.7188 Intermediate Similarity NPD2935 Discontinued
0.7182 Intermediate Similarity NPD8434 Phase 2
0.7168 Intermediate Similarity NPD6959 Discontinued
0.716 Intermediate Similarity NPD6674 Discontinued
0.7158 Intermediate Similarity NPD7870 Phase 2
0.7158 Intermediate Similarity NPD7871 Phase 2
0.7152 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD2533 Approved
0.7152 Intermediate Similarity NPD2534 Approved
0.7152 Intermediate Similarity NPD2532 Approved
0.7143 Intermediate Similarity NPD5762 Approved
0.7143 Intermediate Similarity NPD6599 Discontinued
0.7143 Intermediate Similarity NPD5763 Approved
0.7135 Intermediate Similarity NPD7768 Phase 2
0.7135 Intermediate Similarity NPD7701 Phase 2
0.7133 Intermediate Similarity NPD3019 Approved
0.7133 Intermediate Similarity NPD2932 Approved
0.7125 Intermediate Similarity NPD2799 Discontinued
0.7124 Intermediate Similarity NPD1283 Approved
0.7119 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD7783 Phase 2
0.7113 Intermediate Similarity NPD7801 Approved
0.7092 Intermediate Similarity NPD7930 Approved
0.7089 Intermediate Similarity NPD2979 Phase 3
0.7089 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD3094 Phase 2
0.7066 Intermediate Similarity NPD5403 Approved
0.7063 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1934 Approved
0.7048 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD230 Phase 1
0.7041 Intermediate Similarity NPD7028 Phase 2
0.7037 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD6002 Phase 3
0.7037 Intermediate Similarity NPD6004 Phase 3
0.7037 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD6005 Phase 3
0.7019 Intermediate Similarity NPD3748 Approved
0.7019 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD7008 Discontinued
0.6994 Remote Similarity NPD1549 Phase 2
0.6988 Remote Similarity NPD7390 Discontinued
0.6988 Remote Similarity NPD6799 Approved
0.6984 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6982 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6981 Remote Similarity NPD4060 Phase 1
0.6977 Remote Similarity NPD5402 Approved
0.6968 Remote Similarity NPD1470 Approved
0.6959 Remote Similarity NPD5951 Approved
0.6957 Remote Similarity NPD7097 Phase 1
0.6949 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6949 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6949 Remote Similarity NPD6166 Phase 2
0.6946 Remote Similarity NPD5401 Approved
0.6944 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6933 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6933 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6933 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6928 Remote Similarity NPD1281 Approved
0.6928 Remote Similarity NPD1201 Approved
0.6928 Remote Similarity NPD3092 Approved
0.6927 Remote Similarity NPD7680 Approved
0.6923 Remote Similarity NPD1653 Approved
0.6923 Remote Similarity NPD2798 Approved
0.6919 Remote Similarity NPD1465 Phase 2
0.6918 Remote Similarity NPD6233 Phase 2
0.6918 Remote Similarity NPD8032 Phase 2
0.6914 Remote Similarity NPD5494 Approved
0.6914 Remote Similarity NPD1510 Phase 2
0.6897 Remote Similarity NPD3749 Approved
0.6894 Remote Similarity NPD1607 Approved
0.6894 Remote Similarity NPD6653 Approved
0.689 Remote Similarity NPD970 Clinical (unspecified phase)
0.6885 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6881 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6879 Remote Similarity NPD3817 Phase 2
0.6875 Remote Similarity NPD4140 Approved
0.6872 Remote Similarity NPD7585 Approved
0.6871 Remote Similarity NPD1551 Phase 2
0.6859 Remote Similarity NPD1164 Approved
0.6856 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6855 Remote Similarity NPD6798 Discontinued
0.6855 Remote Similarity NPD2313 Discontinued
0.6848 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6826 Remote Similarity NPD5058 Phase 3
0.6821 Remote Similarity NPD5761 Phase 2
0.6821 Remote Similarity NPD7583 Approved
0.6821 Remote Similarity NPD5760 Phase 2
0.6821 Remote Similarity NPD7584 Approved
0.6815 Remote Similarity NPD5647 Approved
0.6813 Remote Similarity NPD8368 Discontinued
0.6813 Remote Similarity NPD6764 Approved
0.6813 Remote Similarity NPD6765 Approved
0.681 Remote Similarity NPD4308 Phase 3
0.681 Remote Similarity NPD7033 Discontinued
0.6803 Remote Similarity NPD4141 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   24800715
ChEMBL   CHEMBL256094
ZINC  

Physicochemical Properties

Molecular Weight:  526.22
ALogP:  -0.0338
MLogP:  3.66
XLogP:  3.404
# Rotatable Bonds:  16
Polar Surface Area:  142.75
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  38

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