Natural Product: NPC252979

Natural Product ID:  NPC252979
Common Name:   n.a.
IUPAC Name:  
Synonyms:   3,4,5-GQA
Molecular Formula:   C28H24O18
Standard InCHIKey:  PEOHIPMSHPWYAQ-LGFATHPOSA-N
Standard InCHI:  InChI=1S/C28H24O18/c29-12-1-9(2-13(30)20(12)35)24(38)44-18-7-28(43,27(41)42)8-19(45-25(39)10-3-14(31)21(36)15(32)4-10)23(18)46-26(40)11-5-16(33)22(37)17(34)6-11/h1-6,18-19,23,29-37,43H,7-8H2,(H,41,42)/t18-,19-,23-,28+/m1/s1
Canonical SMILES:  O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1[C@H](OC(=O)c2cc(O)c(c(c2)O)O)C[C@@](C[C@H]1OC(=O)c1cc(O)c(c(c1)O)O)(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
NPO2174 Polysiphonia elongata Species Rhodomelaceae Eukaryota UNPD*
NPO8909 Pteris radiata Species Pteridaceae Eukaryota UNPD*
NPO3119 Cephalaria uralensis Species Caprifoliaceae Eukaryota UNPD*
NPO6039 Aglaia laxiflora Species Meliaceae Eukaryota UNPD*
NPO4073 Geranium sylvaticum Species Geraniaceae Eukaryota UNPD*
NPO550 Callicarpa maingayi Species Lamiaceae Eukaryota UNPD*
NPO5065 Cladonia fallax Species Cladoniaceae Eukaryota UNPD*
NPO3924 Penicillium alutaceum Species Aspergillaceae Eukaryota UNPD*
NPO7013 Dicoma capensis Species Asteraceae Eukaryota UNPD*
NPO5301 Haplophyllum ferganicum Species Rutaceae Eukaryota UNPD*
NPO7381 Ircinia spinosula Species Irciniidae Eukaryota UNPD*
NPO5541 Crotalaria aegyptiaca Species Fabaceae Eukaryota UNPD*
NPO9734 Vincetoxicum hirundinaria Species Apocynaceae Eukaryota UNPD*
NPO15448 Chrysothamnus parryi Species Asteraceae Eukaryota UNPD*
NPO5069 Ekebergia senegalensis Species Meliaceae Eukaryota UNPD*
NPO9973 Euphorbia turczaninowii Species Euphorbiaceae Eukaryota UNPD*
NPO8621 Cylindrospermopsis raciborskii Species Aphanizomenonaceae Bacteria UNPD*
NPO7625 Scopolia hladnikiana Species Solanaceae Eukaryota UNPD*
NPO8773 Sonchus ortunoi Species Asteraceae Eukaryota UNPD*
NPO2723 Artemisia carvifolia Species Asteraceae Eukaryota UNPD*
NPO762 Digitalis isabelliana Species Plantaginaceae Eukaryota UNPD*
NPO8437 Encyothalia cliftonii Species Sporochnaceae Eukaryota UNPD*
NPO9207 Styrax ferrugineus Species Styracaceae Eukaryota UNPD*
NPO26170 Haliclona mucosa Species Chalinidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT316 Protein Family Protein kinase C (PKC) Homo sapiens IC50 > 100000 nM 10.1016/S0960-894X(01)81072-6
NPT2 Others Unspecified Inhibition = 58 % 2478667
NPT2 Others Unspecified Inhibition = 48 % 2478667
NPT2 Others Unspecified Inhibition = 39 % 2478667
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Inhibition = 70 % 2478667
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Inhibition = 59 % 2478667
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Inhibition = 26 % 2478667
NPT759 Cell Line H9 Homo sapiens Inhibition = 14 % 2478667
NPT672 Cell Line TE-671 Homo sapiens ED50 > 10 ug/ml 1431932
NPT180 Cell Line HCT-8 Homo sapiens ED50 > 10 ug/ml 1431932
NPT81 Cell Line A549 Homo sapiens ED50 > 10 ug/ml 1431932
NPT91 Cell Line KB Homo sapiens ED50 > 10 ug/ml 1431932
NPT2 Others Unspecified ED50 > 10 ug/ml 1431932

  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 NPC252979 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
0.9662 High Similarity NPC134925
0.9653 High Similarity NPC43123
0.9586 High Similarity NPC42464
0.9521 High Similarity NPC306343
0.9517 High Similarity NPC142528
0.9375 High Similarity NPC114242
0.9375 High Similarity NPC50221
0.931 High Similarity NPC477333
0.9241 High Similarity NPC121573
0.9241 High Similarity NPC190587
0.9241 High Similarity NPC22176
0.9241 High Similarity NPC226738
0.9205 High Similarity NPC145425
0.92 High Similarity NPC16024
0.92 High Similarity NPC3746
0.92 High Similarity NPC61152
0.92 High Similarity NPC44260
0.92 High Similarity NPC205037
0.9145 High Similarity NPC239019
0.9145 High Similarity NPC247629
0.9103 High Similarity NPC477335
0.9103 High Similarity NPC35702
0.9103 High Similarity NPC471027
0.9103 High Similarity NPC297517
0.9103 High Similarity NPC206095
0.9103 High Similarity NPC13818
0.9103 High Similarity NPC224389
0.9085 High Similarity NPC172419
0.9085 High Similarity NPC238419
0.9079 High Similarity NPC203757
0.9067 High Similarity NPC477334
0.9041 High Similarity NPC472016
0.9041 High Similarity NPC319628
0.9041 High Similarity NPC303090
0.9041 High Similarity NPC277315
0.9041 High Similarity NPC258469
0.9041 High Similarity NPC220664
0.9041 High Similarity NPC43158
0.9041 High Similarity NPC192831
0.9041 High Similarity NPC37331
0.9041 High Similarity NPC284948
0.9026 High Similarity NPC210501
0.9026 High Similarity NPC114791
0.9026 High Similarity NPC141331
0.9026 High Similarity NPC318826
0.9026 High Similarity NPC104222
0.9007 High Similarity NPC93498
0.9007 High Similarity NPC163883
0.8993 High Similarity NPC248257
0.8993 High Similarity NPC120621
0.8966 High Similarity NPC225036
0.8966 High Similarity NPC75763
0.8966 High Similarity NPC105525
0.8966 High Similarity NPC12218
0.8947 High Similarity NPC146277
0.8947 High Similarity NPC19380
0.8933 High Similarity NPC92117
0.8933 High Similarity NPC75945
0.8926 High Similarity NPC322660
0.8897 High Similarity NPC37250
0.8897 High Similarity NPC239943
0.8897 High Similarity NPC152942
0.8897 High Similarity NPC219428
0.8897 High Similarity NPC278068
0.8897 High Similarity NPC142703
0.8897 High Similarity NPC302857
0.8896 High Similarity NPC104983
0.8896 High Similarity NPC291948
0.8896 High Similarity NPC88803
0.8896 High Similarity NPC250436
0.8896 High Similarity NPC300845
0.8867 High Similarity NPC471076
0.8867 High Similarity NPC192568
0.8839 High Similarity NPC114179
0.8839 High Similarity NPC156818
0.8839 High Similarity NPC68324
0.8839 High Similarity NPC289322
0.8839 High Similarity NPC160512
0.8839 High Similarity NPC38779
0.8836 High Similarity NPC274891
0.8836 High Similarity NPC474875
0.8836 High Similarity NPC205751
0.8836 High Similarity NPC476820
0.8836 High Similarity NPC476819
0.8836 High Similarity NPC26241
0.8836 High Similarity NPC303683
0.8836 High Similarity NPC295492
0.8819 High Similarity NPC18646
0.8816 High Similarity NPC140151
0.88 High Similarity NPC229264
0.8782 High Similarity NPC87317
0.8774 High Similarity NPC318432
0.8774 High Similarity NPC473275
0.8774 High Similarity NPC470896
0.8767 High Similarity NPC283560
0.8767 High Similarity NPC24295
0.8759 High Similarity NPC156892
0.8734 High Similarity NPC4013
0.8734 High Similarity NPC14030
0.8734 High Similarity NPC291957
0.8734 High Similarity NPC90905
0.8726 High Similarity NPC53889
0.8726 High Similarity NPC289346
0.8726 High Similarity NPC24164
0.8726 High Similarity NPC476373
0.8725 High Similarity NPC229036
0.8696 High Similarity NPC198125
0.8696 High Similarity NPC95421
0.8688 High Similarity NPC175793
0.8681 High Similarity NPC304929
0.8681 High Similarity NPC1321
0.8681 High Similarity NPC156124
0.8679 High Similarity NPC470898
0.8667 High Similarity NPC108455
0.8636 High Similarity NPC75695
0.8634 High Similarity NPC190204
0.8634 High Similarity NPC43918
0.8634 High Similarity NPC261411
0.8634 High Similarity NPC470271
0.8634 High Similarity NPC217781
0.8634 High Similarity NPC311389
0.8625 High Similarity NPC162169
0.8625 High Similarity NPC142614
0.8625 High Similarity NPC166851
0.8621 High Similarity NPC68517
0.8616 High Similarity NPC33298
0.8616 High Similarity NPC476372
0.8616 High Similarity NPC285108
0.8616 High Similarity NPC476371
0.8609 High Similarity NPC98356
0.8589 High Similarity NPC476370
0.8581 High Similarity NPC474656
0.858 High Similarity NPC149300
0.8571 High Similarity NPC49983
0.8571 High Similarity NPC142707
0.8571 High Similarity NPC26536
0.8571 High Similarity NPC317671
0.8562 High Similarity NPC70680
0.8562 High Similarity NPC233350
0.8562 High Similarity NPC182217
0.8544 High Similarity NPC287872
0.8544 High Similarity NPC74319
0.8542 High Similarity NPC264145
0.8537 High Similarity NPC476374
0.8528 High Similarity NPC470272
0.8528 High Similarity NPC47521
0.8526 High Similarity NPC125487
0.8526 High Similarity NPC469888
0.8526 High Similarity NPC281703
0.8519 High Similarity NPC31034
0.8519 High Similarity NPC473818
0.8509 High Similarity NPC471788
0.8506 High Similarity NPC473091
0.8491 Intermediate Similarity NPC24627
0.8491 Intermediate Similarity NPC119125
0.8491 Intermediate Similarity NPC166277
0.8481 Intermediate Similarity NPC472860
0.8481 Intermediate Similarity NPC1913
0.8477 Intermediate Similarity NPC134975
0.8476 Intermediate Similarity NPC102851
0.8476 Intermediate Similarity NPC65333
0.8476 Intermediate Similarity NPC100251
0.8476 Intermediate Similarity NPC5786
0.8471 Intermediate Similarity NPC156624
0.8471 Intermediate Similarity NPC172920
0.8466 Intermediate Similarity NPC280493
0.8466 Intermediate Similarity NPC197708
0.8466 Intermediate Similarity NPC658
0.8457 Intermediate Similarity NPC471823
0.8452 Intermediate Similarity NPC243891
0.8447 Intermediate Similarity NPC227297
0.8438 Intermediate Similarity NPC266365
0.8438 Intermediate Similarity NPC472859
0.8438 Intermediate Similarity NPC25389
0.8438 Intermediate Similarity NPC311803
0.8431 Intermediate Similarity NPC268366
0.8428 Intermediate Similarity NPC160780
0.8428 Intermediate Similarity NPC289811
0.8424 Intermediate Similarity NPC98583
0.8403 Intermediate Similarity NPC94810
0.8397 Intermediate Similarity NPC267091
0.8397 Intermediate Similarity NPC227485
0.8397 Intermediate Similarity NPC476434
0.8397 Intermediate Similarity NPC246566
0.8397 Intermediate Similarity NPC95498
0.8383 Intermediate Similarity NPC37668
0.8383 Intermediate Similarity NPC267680
0.8383 Intermediate Similarity NPC217387
0.8383 Intermediate Similarity NPC253521
0.8383 Intermediate Similarity NPC113836
0.8383 Intermediate Similarity NPC293626
0.8383 Intermediate Similarity NPC196127
0.8383 Intermediate Similarity NPC258044
0.8377 Intermediate Similarity NPC472969
0.8375 Intermediate Similarity NPC203020
0.8375 Intermediate Similarity NPC239966
0.8367 Intermediate Similarity NPC248150
0.8366 Intermediate Similarity NPC473867
0.8365 Intermediate Similarity NPC135222
0.8365 Intermediate Similarity NPC104275

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC252979 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
0.9041 High Similarity NPD6190 Approved
0.8896 High Similarity NPD4868 Clinical (unspecified phase)
0.8704 High Similarity NPD7993 Clinical (unspecified phase)
0.8681 High Similarity NPD230 Phase 1
0.8171 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8171 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8171 Intermediate Similarity NPD6166 Phase 2
0.8155 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8042 Intermediate Similarity NPD9269 Phase 2
0.8012 Intermediate Similarity NPD3817 Phase 2
0.7963 Intermediate Similarity NPD3882 Suspended
0.795 Intermediate Similarity NPD2801 Approved
0.795 Intermediate Similarity NPD1465 Phase 2
0.7929 Intermediate Similarity NPD6797 Phase 2
0.7917 Intermediate Similarity NPD5844 Phase 1
0.7901 Intermediate Similarity NPD5402 Approved
0.7888 Intermediate Similarity NPD1934 Approved
0.7882 Intermediate Similarity NPD7251 Discontinued
0.7857 Intermediate Similarity NPD3818 Discontinued
0.7848 Intermediate Similarity NPD1512 Approved
0.784 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD6232 Discontinued
0.7805 Intermediate Similarity NPD7075 Discontinued
0.7803 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7799 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD7472 Approved
0.7764 Intermediate Similarity NPD4380 Phase 2
0.7762 Intermediate Similarity NPD9268 Approved
0.7733 Intermediate Similarity NPD7808 Phase 3
0.7722 Intermediate Similarity NPD1511 Approved
0.7706 Intermediate Similarity NPD7054 Approved
0.7692 Intermediate Similarity NPD7473 Discontinued
0.7677 Intermediate Similarity NPD7266 Discontinued
0.7674 Intermediate Similarity NPD7685 Pre-registration
0.7661 Intermediate Similarity NPD7074 Phase 3
0.7651 Intermediate Similarity NPD6234 Discontinued
0.7632 Intermediate Similarity NPD943 Approved
0.7622 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD3764 Approved
0.761 Intermediate Similarity NPD6799 Approved
0.759 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD5403 Approved
0.7561 Intermediate Similarity NPD6801 Discontinued
0.75 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7411 Suspended
0.7486 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD8150 Discontinued
0.7455 Intermediate Similarity NPD37 Approved
0.7453 Intermediate Similarity NPD5401 Approved
0.7448 Intermediate Similarity NPD9545 Approved
0.7442 Intermediate Similarity NPD7228 Approved
0.7436 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD4965 Approved
0.7425 Intermediate Similarity NPD4967 Phase 2
0.7425 Intermediate Similarity NPD4966 Approved
0.7423 Intermediate Similarity NPD1653 Approved
0.7421 Intermediate Similarity NPD4628 Phase 3
0.7396 Intermediate Similarity NPD5494 Approved
0.7368 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD5353 Approved
0.7353 Intermediate Similarity NPD6959 Discontinued
0.7346 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD3751 Discontinued
0.7338 Intermediate Similarity NPD6233 Phase 2
0.7333 Intermediate Similarity NPD6599 Discontinued
0.7326 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD1510 Phase 2
0.7321 Intermediate Similarity NPD7768 Phase 2
0.732 Intermediate Similarity NPD3027 Phase 3
0.7312 Intermediate Similarity NPD3750 Approved
0.7312 Intermediate Similarity NPD8166 Discontinued
0.731 Intermediate Similarity NPD3787 Discontinued
0.7305 Intermediate Similarity NPD7819 Suspended
0.7303 Intermediate Similarity NPD9494 Approved
0.7299 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD1549 Phase 2
0.7278 Intermediate Similarity NPD3749 Approved
0.7273 Intermediate Similarity NPD3455 Phase 2
0.7262 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD7199 Phase 2
0.725 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD1613 Approved
0.7178 Intermediate Similarity NPD7390 Discontinued
0.7175 Intermediate Similarity NPD6559 Discontinued
0.717 Intermediate Similarity NPD1551 Phase 2
0.717 Intermediate Similarity NPD2935 Discontinued
0.7168 Intermediate Similarity NPD5242 Approved
0.7167 Intermediate Similarity NPD8434 Phase 2
0.7161 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD2533 Approved
0.7134 Intermediate Similarity NPD2534 Approved
0.7134 Intermediate Similarity NPD2532 Approved
0.712 Intermediate Similarity NPD6535 Approved
0.712 Intermediate Similarity NPD6534 Approved
0.7095 Intermediate Similarity NPD8312 Approved
0.7095 Intermediate Similarity NPD8313 Approved
0.709 Intermediate Similarity NPD7435 Discontinued
0.7083 Intermediate Similarity NPD6386 Approved
0.7083 Intermediate Similarity NPD8151 Discontinued
0.7083 Intermediate Similarity NPD6385 Approved
0.7079 Intermediate Similarity NPD7240 Approved
0.7078 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD1240 Approved
0.7069 Intermediate Similarity NPD3926 Phase 2
0.7063 Intermediate Similarity NPD5406 Approved
0.7063 Intermediate Similarity NPD5404 Approved
0.7063 Intermediate Similarity NPD5405 Approved
0.7063 Intermediate Similarity NPD5408 Approved
0.7063 Intermediate Similarity NPD2796 Approved
0.7051 Intermediate Similarity NPD6798 Discontinued
0.7039 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD919 Approved
0.7032 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD447 Suspended
0.7021 Intermediate Similarity NPD6782 Approved
0.7021 Intermediate Similarity NPD6781 Approved
0.7021 Intermediate Similarity NPD6780 Approved
0.7021 Intermediate Similarity NPD6777 Approved
0.7021 Intermediate Similarity NPD6779 Approved
0.7021 Intermediate Similarity NPD6778 Approved
0.7021 Intermediate Similarity NPD6776 Approved
0.7005 Intermediate Similarity NPD7699 Phase 2
0.7005 Intermediate Similarity NPD7700 Phase 2
0.7 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8455 Phase 2
0.7 Intermediate Similarity NPD3748 Approved
0.6981 Remote Similarity NPD1607 Approved
0.6963 Remote Similarity NPD8319 Approved
0.6963 Remote Similarity NPD8320 Phase 1
0.6954 Remote Similarity NPD1247 Approved
0.6952 Remote Similarity NPD8090 Clinical (unspecified phase)
0.689 Remote Similarity NPD6398 Clinical (unspecified phase)
0.689 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6889 Remote Similarity NPD7039 Approved
0.6889 Remote Similarity NPD7038 Approved
0.6875 Remote Similarity NPD7871 Phase 2
0.6875 Remote Similarity NPD7870 Phase 2
0.6872 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6872 Remote Similarity NPD7874 Approved
0.6864 Remote Similarity NPD7458 Discontinued
0.6864 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6857 Remote Similarity NPD8127 Discontinued
0.6823 Remote Similarity NPD7697 Approved
0.6823 Remote Similarity NPD7698 Approved
0.6823 Remote Similarity NPD7696 Phase 3
0.6806 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6786 Remote Similarity NPD6273 Approved
0.6782 Remote Similarity NPD6971 Discontinued
0.6776 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6772 Remote Similarity NPD7095 Approved
0.6769 Remote Similarity NPD7701 Phase 2
0.6766 Remote Similarity NPD4357 Discontinued
0.6765 Remote Similarity NPD3226 Approved
0.6758 Remote Similarity NPD7549 Discontinued
0.6747 Remote Similarity NPD3887 Approved
0.6747 Remote Similarity NPD2354 Approved
0.674 Remote Similarity NPD5953 Discontinued
0.6733 Remote Similarity NPD9493 Approved
0.6731 Remote Similarity NPD1203 Approved
0.6723 Remote Similarity NPD7229 Phase 3
0.6709 Remote Similarity NPD4908 Phase 1
0.6708 Remote Similarity NPD6355 Discontinued
0.6708 Remote Similarity NPD1933 Approved
0.6707 Remote Similarity NPD7440 Discontinued
0.6702 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6687 Remote Similarity NPD4062 Phase 3
0.6687 Remote Similarity NPD7003 Approved
0.6667 Remote Similarity NPD7783 Phase 2
0.6667 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3225 Approved
0.6667 Remote Similarity NPD7801 Approved
0.6667 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7680 Approved
0.6647 Remote Similarity NPD920 Approved
0.6646 Remote Similarity NPD6100 Approved
0.6646 Remote Similarity NPD6099 Approved
0.6645 Remote Similarity NPD1608 Approved
0.6631 Remote Similarity NPD8360 Approved
0.6631 Remote Similarity NPD8361 Approved
0.663 Remote Similarity NPD7286 Phase 2
0.6629 Remote Similarity NPD5710 Approved
0.6629 Remote Similarity NPD5711 Approved
0.6627 Remote Similarity NPD642 Clinical (unspecified phase)
0.6626 Remote Similarity NPD7097 Phase 1
0.6625 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6618 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6614 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6614 Remote Similarity NPD6213 Phase 3
0.6614 Remote Similarity NPD6212 Phase 3
0.6612 Remote Similarity NPD8368 Discontinued
0.6607 Remote Similarity NPD7236 Approved
0.6605 Remote Similarity NPD4340 Discontinued

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL310527
ZINC  

Physicochemical Properties

Molecular Weight:  648.10
ALogP:  -5.041
MLogP:  2.56
XLogP:  -0.371
# Rotatable Bonds:  21
Polar Surface Area:  318.5
# H-Bond Aceptor:  9
# H-Bond Donor:  11
# Rings:  4
# Heavy Atoms:  46

Download Data

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