Natural Product: NPC235698

Natural Product ID:  NPC235698
Common Name:   Aglaroxin A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H29NO8
Standard InCHIKey:  VBEWJSMISIWDQM-NPWWZGLVSA-N
Standard InCHI:  InChI=1S/C29H29NO8/c1-30(2)27(32)21-22(16-8-6-5-7-9-16)29(17-10-12-18(34-3)13-11-17)28(33,26(21)31)23-19(38-29)14-20-24(25(23)35-4)37-15-36-20/h5-14,21-22,26,31,33H,15H2,1-4H3/t21-,22-,26-,28+,29+/m1/s1
Canonical SMILES:  COc1ccc(cc1)[C@]12Oc3c([C@]2(O)[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)N(C)C)O)c(OC)c1c(c3)OCO1
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
NPO7567 Parmelia rigida Species Parmeliaceae Eukaryota UNPD*
NPO3902 Aglaia edulis Species Meliaceae Eukaryota PMID[17190457]
NPO32616 aglaia sp. Species Meliaceae Eukaryota PMID[10775404]
NPO8565 Dioscorea dumetorum Species Dioscoreaceae Eukaryota UNPD*
NPO2867 Cotula coronopifolia Species Asteraceae Eukaryota UNPD*
NPO4528 Penicillium lapatayae Species Aspergillaceae Eukaryota UNPD*
NPO9782 Hygrochilus parishii Species Orchidaceae Eukaryota UNPD*
NPO23349 Holothuria pervicax Species Holothuriidae Eukaryota UNPD*
NPO8281 Epimedium davidi Species Berberidaceae Eukaryota UNPD*
NPO23941 Ilex crenata Species Aquifoliaceae Eukaryota UNPD*
NPO13865 Cucumaria chronhjelmi Species Cucumariidae Eukaryota UNPD*
NPO8409 Galium semiamictum Species Rubiaceae Eukaryota UNPD*
NPO1360 Penicillium nordicum Species Aspergillaceae Eukaryota UNPD*
NPO3902 Aglaia edulis Species Meliaceae Eukaryota TCMID*
NPO15626 Alternaria japonica Species Pleosporaceae Eukaryota UNPD*
NPO1356 Bacillus circulans Species Bacillaceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1034 Cell Line Lu1 Homo sapiens ED50 = 0.04 ug/ml 17190457
NPT858 Cell Line LNCaP Homo sapiens ED50 = 0.02 ug/ml 17190457
NPT83 Cell Line MCF7 Homo sapiens ED50 = 0.06 ug/ml 17190457
NPT737 Cell Line HUVEC Homo sapiens ED50 = 0.1 ug/ml 17190457
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea MIC = 100 ug/ml 10775404
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea EC90 > 200 ug/ml 10775404
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea EC50 = 1.4 ug/ml 10775404

  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 NPC235698 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
0.9835 High Similarity NPC169605
0.9728 High Similarity NPC258128
0.9111 High Similarity NPC206061
0.9091 High Similarity NPC475565
0.9091 High Similarity NPC475292
0.9091 High Similarity NPC475349
0.9091 High Similarity NPC475442
0.8956 High Similarity NPC236089
0.895 High Similarity NPC475624
0.8901 High Similarity NPC29587
0.8846 High Similarity NPC23593
0.8791 High Similarity NPC107739
0.8777 High Similarity NPC308709
0.8743 High Similarity NPC263955
0.8663 High Similarity NPC470846
0.8333 Intermediate Similarity NPC79130
0.825 Intermediate Similarity NPC293347
0.8222 Intermediate Similarity NPC189730
0.8187 Intermediate Similarity NPC73422
0.8187 Intermediate Similarity NPC310399
0.8182 Intermediate Similarity NPC149502
0.8182 Intermediate Similarity NPC271755
0.8182 Intermediate Similarity NPC254071
0.8182 Intermediate Similarity NPC222665
0.8167 Intermediate Similarity NPC164152
0.8142 Intermediate Similarity NPC90336
0.8132 Intermediate Similarity NPC209473
0.8132 Intermediate Similarity NPC329743
0.801 Intermediate Similarity NPC470646
0.7968 Intermediate Similarity NPC475621
0.7903 Intermediate Similarity NPC476244
0.7802 Intermediate Similarity NPC56184
0.7796 Intermediate Similarity NPC476337
0.7784 Intermediate Similarity NPC220462
0.7778 Intermediate Similarity NPC476277
0.7767 Intermediate Similarity NPC470847
0.7754 Intermediate Similarity NPC288149
0.7745 Intermediate Similarity NPC80472
0.7744 Intermediate Similarity NPC18306
0.7721 Intermediate Similarity NPC5674
0.7717 Intermediate Similarity NPC136757
0.7701 Intermediate Similarity NPC119910
0.7701 Intermediate Similarity NPC96593
0.7688 Intermediate Similarity NPC19947
0.7688 Intermediate Similarity NPC207584
0.7684 Intermediate Similarity NPC113093
0.7676 Intermediate Similarity NPC186316
0.7663 Intermediate Similarity NPC473236
0.7656 Intermediate Similarity NPC212748
0.765 Intermediate Similarity NPC164082
0.7637 Intermediate Similarity NPC477698
0.7634 Intermediate Similarity NPC32373
0.7634 Intermediate Similarity NPC237946
0.7634 Intermediate Similarity NPC478055
0.7632 Intermediate Similarity NPC222531
0.7626 Intermediate Similarity NPC470642
0.7619 Intermediate Similarity NPC469575
0.7617 Intermediate Similarity NPC223375
0.7617 Intermediate Similarity NPC475825
0.7614 Intermediate Similarity NPC473883
0.7609 Intermediate Similarity NPC477699
0.7606 Intermediate Similarity NPC268718
0.7606 Intermediate Similarity NPC91634
0.7606 Intermediate Similarity NPC150943
0.7604 Intermediate Similarity NPC472381
0.7604 Intermediate Similarity NPC472383
0.759 Intermediate Similarity NPC156635
0.7579 Intermediate Similarity NPC470178
0.7577 Intermediate Similarity NPC105137
0.7574 Intermediate Similarity NPC83019
0.7569 Intermediate Similarity NPC162193
0.7568 Intermediate Similarity NPC87363
0.7566 Intermediate Similarity NPC115624
0.7565 Intermediate Similarity NPC21190
0.7565 Intermediate Similarity NPC265214
0.7565 Intermediate Similarity NPC105511
0.7565 Intermediate Similarity NPC22195
0.7565 Intermediate Similarity NPC44558
0.7565 Intermediate Similarity NPC183357
0.7565 Intermediate Similarity NPC91043
0.7554 Intermediate Similarity NPC474975
0.7553 Intermediate Similarity NPC472565
0.7552 Intermediate Similarity NPC42892
0.7552 Intermediate Similarity NPC135345
0.7552 Intermediate Similarity NPC93099
0.7551 Intermediate Similarity NPC472387
0.7551 Intermediate Similarity NPC241196
0.7538 Intermediate Similarity NPC472607
0.7527 Intermediate Similarity NPC20360
0.7527 Intermediate Similarity NPC476364
0.7527 Intermediate Similarity NPC273578
0.7526 Intermediate Similarity NPC125991
0.7526 Intermediate Similarity NPC472386
0.7526 Intermediate Similarity NPC307518
0.7526 Intermediate Similarity NPC261254
0.7526 Intermediate Similarity NPC267254
0.7526 Intermediate Similarity NPC469506
0.7526 Intermediate Similarity NPC205076
0.7526 Intermediate Similarity NPC48773
0.7526 Intermediate Similarity NPC235575
0.7525 Intermediate Similarity NPC204580
0.7513 Intermediate Similarity NPC170675
0.7513 Intermediate Similarity NPC469931
0.7513 Intermediate Similarity NPC67424
0.7513 Intermediate Similarity NPC45638
0.7513 Intermediate Similarity NPC186807
0.7513 Intermediate Similarity NPC201292
0.7513 Intermediate Similarity NPC93337
0.7513 Intermediate Similarity NPC105025
0.7513 Intermediate Similarity NPC226294
0.7513 Intermediate Similarity NPC58053
0.7513 Intermediate Similarity NPC112755
0.7513 Intermediate Similarity NPC471457
0.7513 Intermediate Similarity NPC475942
0.7513 Intermediate Similarity NPC95855
0.7513 Intermediate Similarity NPC210042
0.7512 Intermediate Similarity NPC14390
0.7512 Intermediate Similarity NPC197125
0.75 Intermediate Similarity NPC258644
0.75 Intermediate Similarity NPC257714
0.75 Intermediate Similarity NPC475360
0.75 Intermediate Similarity NPC238140
0.75 Intermediate Similarity NPC474990
0.75 Intermediate Similarity NPC184607
0.75 Intermediate Similarity NPC319549
0.75 Intermediate Similarity NPC181168
0.75 Intermediate Similarity NPC196771
0.75 Intermediate Similarity NPC119589
0.75 Intermediate Similarity NPC115281
0.75 Intermediate Similarity NPC163527
0.7487 Intermediate Similarity NPC14294
0.7487 Intermediate Similarity NPC116759
0.7487 Intermediate Similarity NPC51774
0.7487 Intermediate Similarity NPC239549
0.7487 Intermediate Similarity NPC236191
0.7486 Intermediate Similarity NPC166584
0.7486 Intermediate Similarity NPC301961
0.7475 Intermediate Similarity NPC6709
0.7474 Intermediate Similarity NPC293004
0.7474 Intermediate Similarity NPC474434
0.7474 Intermediate Similarity NPC477883
0.7474 Intermediate Similarity NPC124747
0.7474 Intermediate Similarity NPC224462
0.7474 Intermediate Similarity NPC471416
0.7474 Intermediate Similarity NPC152424
0.7474 Intermediate Similarity NPC100465
0.7474 Intermediate Similarity NPC155754
0.7474 Intermediate Similarity NPC34287
0.7473 Intermediate Similarity NPC245948
0.7462 Intermediate Similarity NPC67302
0.7462 Intermediate Similarity NPC476622
0.7462 Intermediate Similarity NPC476623
0.7462 Intermediate Similarity NPC476620
0.7462 Intermediate Similarity NPC476621
0.7462 Intermediate Similarity NPC476619
0.7462 Intermediate Similarity NPC476618
0.7461 Intermediate Similarity NPC167231
0.7461 Intermediate Similarity NPC215802
0.7461 Intermediate Similarity NPC45618
0.7461 Intermediate Similarity NPC79322
0.7461 Intermediate Similarity NPC76482
0.7461 Intermediate Similarity NPC58716
0.7461 Intermediate Similarity NPC146792
0.7449 Intermediate Similarity NPC102028
0.7449 Intermediate Similarity NPC290304
0.7449 Intermediate Similarity NPC236327
0.7448 Intermediate Similarity NPC165720
0.7448 Intermediate Similarity NPC475738
0.7447 Intermediate Similarity NPC165483
0.7446 Intermediate Similarity NPC125570
0.7446 Intermediate Similarity NPC216223
0.7446 Intermediate Similarity NPC240521
0.7446 Intermediate Similarity NPC293757
0.7446 Intermediate Similarity NPC145569
0.7446 Intermediate Similarity NPC668
0.7446 Intermediate Similarity NPC174512
0.7446 Intermediate Similarity NPC474965
0.7446 Intermediate Similarity NPC477695
0.7444 Intermediate Similarity NPC470937
0.7436 Intermediate Similarity NPC254540
0.7436 Intermediate Similarity NPC470685
0.7436 Intermediate Similarity NPC117260
0.7436 Intermediate Similarity NPC156977
0.7436 Intermediate Similarity NPC211594
0.7436 Intermediate Similarity NPC172807
0.7436 Intermediate Similarity NPC301683
0.7436 Intermediate Similarity NPC475155
0.7436 Intermediate Similarity NPC121333
0.7436 Intermediate Similarity NPC476405
0.7435 Intermediate Similarity NPC478199
0.7435 Intermediate Similarity NPC55121
0.7435 Intermediate Similarity NPC300537
0.7435 Intermediate Similarity NPC127782
0.7433 Intermediate Similarity NPC159922
0.7432 Intermediate Similarity NPC208507
0.7432 Intermediate Similarity NPC472333
0.7427 Intermediate Similarity NPC286135
0.7423 Intermediate Similarity NPC476771
0.7423 Intermediate Similarity NPC183036
0.7423 Intermediate Similarity NPC229687

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC235698 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
0.8043 Intermediate Similarity NPD7199 Phase 2
0.7861 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7732 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD4966 Approved
0.7634 Intermediate Similarity NPD4965 Approved
0.7634 Intermediate Similarity NPD4967 Phase 2
0.7553 Intermediate Similarity NPD6234 Discontinued
0.7552 Intermediate Similarity NPD3818 Discontinued
0.75 Intermediate Similarity NPD7296 Approved
0.7473 Intermediate Similarity NPD37 Approved
0.7451 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD7228 Approved
0.736 Intermediate Similarity NPD7549 Discontinued
0.7343 Intermediate Similarity NPD5006 Approved
0.7343 Intermediate Similarity NPD5005 Approved
0.7296 Intermediate Similarity NPD7074 Phase 3
0.7273 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD7054 Approved
0.7222 Intermediate Similarity NPD7685 Pre-registration
0.7208 Intermediate Similarity NPD7472 Approved
0.7186 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD6166 Phase 2
0.7164 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD2801 Approved
0.715 Intermediate Similarity NPD4420 Approved
0.715 Intermediate Similarity NPD5494 Approved
0.7136 Intermediate Similarity NPD7240 Approved
0.7129 Intermediate Similarity NPD2494 Approved
0.7129 Intermediate Similarity NPD2493 Approved
0.7109 Intermediate Similarity NPD4583 Approved
0.7109 Intermediate Similarity NPD4582 Approved
0.7105 Intermediate Similarity NPD1934 Approved
0.7101 Intermediate Similarity NPD2974 Approved
0.7101 Intermediate Similarity NPD2975 Approved
0.7101 Intermediate Similarity NPD2973 Approved
0.71 Intermediate Similarity NPD7808 Phase 3
0.7085 Intermediate Similarity NPD6797 Phase 2
0.7083 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD4580 Approved
0.7077 Intermediate Similarity NPD3787 Discontinued
0.7071 Intermediate Similarity NPD5844 Phase 1
0.707 Intermediate Similarity NPD7783 Phase 2
0.707 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD4004 Approved
0.7062 Intermediate Similarity NPD4002 Approved
0.7062 Intermediate Similarity NPD7497 Discontinued
0.7053 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD7930 Approved
0.705 Intermediate Similarity NPD7251 Discontinued
0.7048 Intermediate Similarity NPD3450 Approved
0.7048 Intermediate Similarity NPD3452 Approved
0.7047 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD7584 Approved
0.7009 Intermediate Similarity NPD7701 Phase 2
0.6995 Remote Similarity NPD3882 Suspended
0.6984 Remote Similarity NPD4210 Discontinued
0.698 Remote Similarity NPD7280 Phase 3
0.698 Remote Similarity NPD7281 Phase 3
0.6979 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6965 Remote Similarity NPD6559 Discontinued
0.6959 Remote Similarity NPD7827 Phase 1
0.6943 Remote Similarity NPD3817 Phase 2
0.6942 Remote Similarity NPD2488 Approved
0.6942 Remote Similarity NPD2490 Approved
0.6935 Remote Similarity NPD3751 Discontinued
0.6931 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6927 Remote Similarity NPD3384 Approved
0.6927 Remote Similarity NPD3382 Approved
0.6927 Remote Similarity NPD3383 Approved
0.6919 Remote Similarity NPD6782 Approved
0.6919 Remote Similarity NPD6781 Approved
0.6919 Remote Similarity NPD6779 Approved
0.6919 Remote Similarity NPD6778 Approved
0.6919 Remote Similarity NPD6780 Approved
0.6919 Remote Similarity NPD6776 Approved
0.6919 Remote Similarity NPD6777 Approved
0.6913 Remote Similarity NPD4846 Phase 2
0.6904 Remote Similarity NPD6232 Discontinued
0.6884 Remote Similarity NPD7473 Discontinued
0.6878 Remote Similarity NPD4663 Approved
0.6872 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6869 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6869 Remote Similarity NPD5242 Approved
0.686 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6858 Remote Similarity NPD8059 Phase 3
0.6858 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6845 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7906 Approved
0.6842 Remote Similarity NPD4363 Phase 3
0.6842 Remote Similarity NPD4360 Phase 2
0.6822 Remote Similarity NPD7680 Approved
0.6818 Remote Similarity NPD3051 Approved
0.6816 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6814 Remote Similarity NPD7223 Discontinued
0.6814 Remote Similarity NPD2971 Approved
0.6814 Remote Similarity NPD2968 Approved
0.6814 Remote Similarity NPD7224 Discontinued
0.681 Remote Similarity NPD4362 Clinical (unspecified phase)
0.681 Remote Similarity NPD4361 Phase 2
0.6806 Remote Similarity NPD1653 Approved
0.6806 Remote Similarity NPD7583 Approved
0.68 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6798 Remote Similarity NPD7038 Approved
0.6798 Remote Similarity NPD7039 Approved
0.6791 Remote Similarity NPD7870 Phase 2
0.6791 Remote Similarity NPD7871 Phase 2
0.6787 Remote Similarity NPD7047 Phase 3
0.6784 Remote Similarity NPD2970 Approved
0.6784 Remote Similarity NPD2969 Approved
0.678 Remote Similarity NPD8053 Approved
0.678 Remote Similarity NPD8054 Approved
0.6774 Remote Similarity NPD7585 Approved
0.6771 Remote Similarity NPD4665 Approved
0.6771 Remote Similarity NPD4111 Phase 1
0.6769 Remote Similarity NPD2563 Approved
0.6769 Remote Similarity NPD2560 Approved
0.6758 Remote Similarity NPD2238 Phase 2
0.6758 Remote Similarity NPD7801 Approved
0.6756 Remote Similarity NPD6997 Phase 2
0.6749 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6744 Remote Similarity NPD7697 Approved
0.6744 Remote Similarity NPD7435 Discontinued
0.6744 Remote Similarity NPD7696 Phase 3
0.6744 Remote Similarity NPD7698 Approved
0.6737 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6732 Remote Similarity NPD4578 Approved
0.6732 Remote Similarity NPD4577 Approved
0.672 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6718 Remote Similarity NPD2978 Approved
0.6718 Remote Similarity NPD2977 Approved
0.6713 Remote Similarity NPD8320 Phase 1
0.6713 Remote Similarity NPD8319 Approved
0.6712 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6712 Remote Similarity NPD7874 Approved
0.6711 Remote Similarity NPD7907 Approved
0.6711 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6701 Remote Similarity NPD6385 Approved
0.6701 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6701 Remote Similarity NPD6386 Approved
0.6698 Remote Similarity NPD6823 Phase 2
0.6695 Remote Similarity NPD8153 Approved
0.6695 Remote Similarity NPD8152 Approved
0.6684 Remote Similarity NPD5402 Approved
0.6684 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6684 Remote Similarity NPD5353 Approved
0.6684 Remote Similarity NPD1511 Approved
0.6683 Remote Similarity NPD7177 Discontinued
0.6683 Remote Similarity NPD8127 Discontinued
0.6683 Remote Similarity NPD7243 Clinical (unspecified phase)
0.6682 Remote Similarity NPD7999 Approved
0.6682 Remote Similarity NPD3473 Clinical (unspecified phase)
0.6682 Remote Similarity NPD6535 Approved
0.6682 Remote Similarity NPD6534 Approved
0.6667 Remote Similarity NPD27 Approved
0.6667 Remote Similarity NPD1613 Approved
0.6667 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2489 Approved
0.6667 Remote Similarity NPD8151 Discontinued
0.6667 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6844 Discontinued
0.6651 Remote Similarity NPD8397 Clinical (unspecified phase)
0.665 Remote Similarity NPD7312 Approved
0.665 Remote Similarity NPD7229 Phase 3
0.665 Remote Similarity NPD7311 Approved
0.665 Remote Similarity NPD7313 Approved
0.665 Remote Similarity NPD8156 Discontinued
0.665 Remote Similarity NPD7315 Approved
0.665 Remote Similarity NPD7310 Approved
0.665 Remote Similarity NPD6071 Discontinued
0.6649 Remote Similarity NPD7028 Phase 2
0.6649 Remote Similarity NPD4380 Phase 2
0.6649 Remote Similarity NPD5177 Phase 3
0.6638 Remote Similarity NPD6723 Discontinued
0.6638 Remote Similarity NPD6625 Approved
0.6633 Remote Similarity NPD5761 Phase 2
0.6633 Remote Similarity NPD5760 Phase 2
0.6633 Remote Similarity NPD8455 Phase 2
0.6632 Remote Similarity NPD6666 Approved
0.6632 Remote Similarity NPD3686 Approved
0.6632 Remote Similarity NPD3687 Approved
0.6632 Remote Similarity NPD6667 Approved
0.6631 Remote Similarity NPD6005 Phase 3
0.6631 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6631 Remote Similarity NPD6004 Phase 3
0.6631 Remote Similarity NPD6002 Phase 3
0.6631 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6619 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6618 Remote Similarity NPD7309 Approved
0.6617 Remote Similarity NPD3926 Phase 2
0.6616 Remote Similarity NPD7075 Discontinued
0.6616 Remote Similarity NPD7833 Phase 2
0.6616 Remote Similarity NPD7832 Clinical (unspecified phase)
0.6616 Remote Similarity NPD7831 Phase 2
0.6615 Remote Similarity NPD7110 Phase 1
0.6615 Remote Similarity NPD7109 Clinical (unspecified phase)
0.6615 Remote Similarity NPD1512 Approved

Structure

External Identifiers

PubChem CID   15450360
ChEMBL   CHEMBL492606
ZINC  

Physicochemical Properties

Molecular Weight:  519.19
ALogP:  -2.807
MLogP:  3.66
XLogP:  4.49
# Rotatable Bonds:  12
Polar Surface Area:  106.92
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  38

Download Data

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Biological Activities  
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