Natural Product: NPC99891

Natural Product ID:  NPC99891
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H18N2O7
Standard InCHIKey:  MWPUPIWCFYQPEG-LWUBGYQZSA-N
Standard InCHI:  InChI=1S/C20H18N2O7/c23-8-14-17(25)18(26)19(27)20(29-14)28-9-1-2-10-11-5-6-21-12-3-4-15(24)22(16(11)12)13(10)7-9/h1-7,14,17-20,23,25-27H,8H2/t14-,17-,18+,19-,20-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2ccc3c(c2)n2c(=O)ccc4c2c3ccn4)[C@@H]([C@H]([C@@H]1O)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
NPO12577 Pinus glauca Species Pinaceae Eukaryota UNPD*
NPO20383 Stenocereus thurberi Species Cactaceae Eukaryota UNPD*
NPO14280 Helichrysum angustifolium Species Asteraceae Eukaryota UNPD*
NPO12988 Blainvillea latifolia Species Asteraceae Eukaryota UNPD*
NPO3576 Bersama swinnyi Species Melianthaceae Eukaryota UNPD*
NPO8820 Lophocereus marginatus Species Cactaceae Eukaryota UNPD*
NPO12026 Papaver radicatum Species Papaveraceae Eukaryota UNPD*
NPO6014 Goniothalamus undulatus Species Annonaceae Eukaryota UNPD*
NPO3924 Penicillium alutaceum Species Aspergillaceae Eukaryota UNPD*
NPO13604 Dermocybe cardinalis Species Cortinariaceae Eukaryota UNPD*
NPO1418 Boletinus paluster Species Gyrodontaceae Eukaryota UNPD*
NPO9375 Medium grandiflorum NA NA NA UNPD*
NPO9024 Aralidium pinnatifidum Species Torricelliaceae Eukaryota UNPD*
NPO11072 Geigeria schinzii Species Asteraceae Eukaryota UNPD*
NPO12890 Ophryosporus charua Species Asteraceae Eukaryota UNPD*
NPO8220 Russula sardonia Species Russulaceae Eukaryota UNPD*
NPO20318 Acinetobacter baumannii Species Moraxellaceae Bacteria UNPD*
NPO893 Helichrysum sutherlandii Species Asteraceae Eukaryota UNPD*
NPO6626 Pteris spinulosa Species Pteridaceae Eukaryota UNPD*
NPO2084 Acinetobacter calcoaceticus Species Moraxellaceae Bacteria UNPD*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota UNPD*
NPO9644 Euphorbia resinifera Species Euphorbiaceae Eukaryota UNPD*
NPO8640 Nemuaron humboldtii Species Atherospermataceae Eukaryota UNPD*
NPO2505 Pachycereus pringlei Species Cactaceae Eukaryota UNPD*
NPO5401 Monanchora unguiculata Species Crambeidae Eukaryota UNPD*
NPO11530 Heterosigma akashiwo Species Chattonellaceae Eukaryota UNPD*
NPO13692 Leontice kiangnanensis Species Berberidaceae Eukaryota UNPD*
NPO13798 Cheilanthes marantae Species Pteridaceae Eukaryota UNPD*
NPO22888 Lophiostoma vaginatispora Species Lophiostomataceae Eukaryota UNPD*
NPO13494 Prosopis kuntzei Species Fabaceae Eukaryota UNPD*
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT591 Individual Protein Glycogen synthase kinase-3 beta Homo sapiens IC50 = 11600 nM 25905468
NPT71 Cell Line HEK293 Homo sapiens IC50 = 36700 nM 25905468
NPT2615 Cell Line HEK-293T Homo sapiens IC50 > 40000 nM 25905468
NPT2170 Cell Line RKO Homo sapiens IC50 > 40000 nM 25905468
NPT660 Cell Line SW480 Homo sapiens IC50 > 40000 nM 25905468
NPT393 Cell Line HCT-116 Homo sapiens IC50 > 40000 nM 25905468
NPT2 Others Unspecified IC50 > 40000 nM 25905468

  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 NPC99891 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
0.9148 High Similarity NPC472434
0.8831 High Similarity NPC472435
0.8718 High Similarity NPC472436
0.8638 High Similarity NPC174758
0.8402 Intermediate Similarity NPC274982
0.838 Intermediate Similarity NPC174672
0.8318 Intermediate Similarity NPC53144
0.8165 Intermediate Similarity NPC82548
0.8091 Intermediate Similarity NPC85273
0.8065 Intermediate Similarity NPC200836
0.8 Intermediate Similarity NPC287208
0.7879 Intermediate Similarity NPC110151
0.7854 Intermediate Similarity NPC211813
0.7851 Intermediate Similarity NPC128115
0.7832 Intermediate Similarity NPC288349
0.7807 Intermediate Similarity NPC193267
0.7807 Intermediate Similarity NPC213530
0.7803 Intermediate Similarity NPC469589
0.7773 Intermediate Similarity NPC295898
0.7768 Intermediate Similarity NPC167860
0.7768 Intermediate Similarity NPC123976
0.7748 Intermediate Similarity NPC472111
0.7727 Intermediate Similarity NPC232727
0.7703 Intermediate Similarity NPC285558
0.7699 Intermediate Similarity NPC202768
0.7699 Intermediate Similarity NPC264176
0.7699 Intermediate Similarity NPC296482
0.7699 Intermediate Similarity NPC53069
0.7671 Intermediate Similarity NPC239954
0.7662 Intermediate Similarity NPC60621
0.7662 Intermediate Similarity NPC310118
0.765 Intermediate Similarity NPC198673
0.7635 Intermediate Similarity NPC124300
0.7634 Intermediate Similarity NPC313189
0.7621 Intermediate Similarity NPC96405
0.7621 Intermediate Similarity NPC171409
0.7609 Intermediate Similarity NPC469594
0.7603 Intermediate Similarity NPC291609
0.7591 Intermediate Similarity NPC168911
0.7569 Intermediate Similarity NPC279401
0.7569 Intermediate Similarity NPC79293
0.7566 Intermediate Similarity NPC477548
0.7564 Intermediate Similarity NPC21638
0.7556 Intermediate Similarity NPC135549
0.7541 Intermediate Similarity NPC310618
0.7523 Intermediate Similarity NPC234197
0.752 Intermediate Similarity NPC26543
0.7511 Intermediate Similarity NPC212213
0.7511 Intermediate Similarity NPC471080
0.7511 Intermediate Similarity NPC469592
0.749 Intermediate Similarity NPC141053
0.7467 Intermediate Similarity NPC112206
0.7467 Intermediate Similarity NPC202605
0.7458 Intermediate Similarity NPC253675
0.7447 Intermediate Similarity NPC122436
0.7445 Intermediate Similarity NPC308392
0.7444 Intermediate Similarity NPC477019
0.7438 Intermediate Similarity NPC474183
0.7434 Intermediate Similarity NPC475841
0.7434 Intermediate Similarity NPC474145
0.7434 Intermediate Similarity NPC471736
0.7434 Intermediate Similarity NPC238457
0.7419 Intermediate Similarity NPC473800
0.7415 Intermediate Similarity NPC473449
0.741 Intermediate Similarity NPC258048
0.7391 Intermediate Similarity NPC26679
0.7389 Intermediate Similarity NPC329708
0.7389 Intermediate Similarity NPC16452
0.7389 Intermediate Similarity NPC274291
0.7389 Intermediate Similarity NPC264166
0.7389 Intermediate Similarity NPC47059
0.7389 Intermediate Similarity NPC470500
0.7389 Intermediate Similarity NPC118832
0.7389 Intermediate Similarity NPC36229
0.7389 Intermediate Similarity NPC476581
0.7389 Intermediate Similarity NPC165349
0.7388 Intermediate Similarity NPC188400
0.7382 Intermediate Similarity NPC23614
0.7382 Intermediate Similarity NPC100079
0.7375 Intermediate Similarity NPC469554
0.7366 Intermediate Similarity NPC101350
0.7359 Intermediate Similarity NPC271215
0.7359 Intermediate Similarity NPC149471
0.7355 Intermediate Similarity NPC57453
0.7355 Intermediate Similarity NPC295228
0.735 Intermediate Similarity NPC17565
0.7333 Intermediate Similarity NPC201508
0.7333 Intermediate Similarity NPC260434
0.7331 Intermediate Similarity NPC118121
0.7325 Intermediate Similarity NPC235685
0.7325 Intermediate Similarity NPC184680
0.7321 Intermediate Similarity NPC476582
0.7321 Intermediate Similarity NPC476578
0.7321 Intermediate Similarity NPC4071
0.7309 Intermediate Similarity NPC267928
0.7308 Intermediate Similarity NPC204446
0.7308 Intermediate Similarity NPC174788
0.7308 Intermediate Similarity NPC473822
0.7304 Intermediate Similarity NPC290689
0.7296 Intermediate Similarity NPC8022
0.7296 Intermediate Similarity NPC470799
0.7295 Intermediate Similarity NPC470785
0.7295 Intermediate Similarity NPC470784
0.7293 Intermediate Similarity NPC475910
0.7289 Intermediate Similarity NPC176538
0.7287 Intermediate Similarity NPC78609
0.7284 Intermediate Similarity NPC74562
0.7284 Intermediate Similarity NPC316181
0.7284 Intermediate Similarity NPC477549
0.7284 Intermediate Similarity NPC476287
0.7284 Intermediate Similarity NPC151781
0.7277 Intermediate Similarity NPC46451
0.7273 Intermediate Similarity NPC96584
0.7273 Intermediate Similarity NPC255800
0.7269 Intermediate Similarity NPC97746
0.7265 Intermediate Similarity NPC473053
0.7261 Intermediate Similarity NPC185782
0.7257 Intermediate Similarity NPC31930
0.7253 Intermediate Similarity NPC235076
0.725 Intermediate Similarity NPC471762
0.7248 Intermediate Similarity NPC62510
0.7236 Intermediate Similarity NPC210296
0.7234 Intermediate Similarity NPC82070
0.7234 Intermediate Similarity NPC303658
0.7229 Intermediate Similarity NPC188420
0.7229 Intermediate Similarity NPC5145
0.7227 Intermediate Similarity NPC65277
0.7222 Intermediate Similarity NPC24864
0.7217 Intermediate Similarity NPC470931
0.721 Intermediate Similarity NPC221100
0.721 Intermediate Similarity NPC234078
0.7205 Intermediate Similarity NPC476106
0.7203 Intermediate Similarity NPC298436
0.7202 Intermediate Similarity NPC473105
0.7202 Intermediate Similarity NPC62069
0.72 Intermediate Similarity NPC91868
0.72 Intermediate Similarity NPC63971
0.7195 Intermediate Similarity NPC168922
0.7194 Intermediate Similarity NPC303374
0.7191 Intermediate Similarity NPC305984
0.7178 Intermediate Similarity NPC194740
0.7178 Intermediate Similarity NPC314954
0.7178 Intermediate Similarity NPC476997
0.7176 Intermediate Similarity NPC284685
0.7173 Intermediate Similarity NPC472099
0.7167 Intermediate Similarity NPC316981
0.7167 Intermediate Similarity NPC251160
0.7167 Intermediate Similarity NPC203168
0.7161 Intermediate Similarity NPC173080
0.716 Intermediate Similarity NPC101543
0.7155 Intermediate Similarity NPC475271
0.7155 Intermediate Similarity NPC219664
0.7149 Intermediate Similarity NPC476114
0.7149 Intermediate Similarity NPC476996
0.7149 Intermediate Similarity NPC476998
0.7149 Intermediate Similarity NPC148183
0.7149 Intermediate Similarity NPC152768
0.7143 Intermediate Similarity NPC183537
0.7143 Intermediate Similarity NPC108342
0.7137 Intermediate Similarity NPC19872
0.7137 Intermediate Similarity NPC266931
0.7136 Intermediate Similarity NPC204385
0.7131 Intermediate Similarity NPC52254
0.713 Intermediate Similarity NPC309498
0.713 Intermediate Similarity NPC133140
0.713 Intermediate Similarity NPC195268
0.7118 Intermediate Similarity NPC223427
0.7118 Intermediate Similarity NPC476138
0.7118 Intermediate Similarity NPC245816
0.7118 Intermediate Similarity NPC475774
0.7114 Intermediate Similarity NPC182907
0.7114 Intermediate Similarity NPC476995
0.7114 Intermediate Similarity NPC189903
0.7107 Intermediate Similarity NPC66777
0.7107 Intermediate Similarity NPC476994
0.7101 Intermediate Similarity NPC477533
0.71 Intermediate Similarity NPC474595
0.7098 Intermediate Similarity NPC289786
0.7098 Intermediate Similarity NPC226202
0.7095 Intermediate Similarity NPC24370
0.7095 Intermediate Similarity NPC319232
0.7094 Intermediate Similarity NPC472098
0.7082 Intermediate Similarity NPC11464
0.708 Intermediate Similarity NPC124313
0.7078 Intermediate Similarity NPC469792
0.7077 Intermediate Similarity NPC227824
0.7075 Intermediate Similarity NPC77878
0.7074 Intermediate Similarity NPC311357
0.7061 Intermediate Similarity NPC315957
0.7061 Intermediate Similarity NPC323752
0.7061 Intermediate Similarity NPC11017
0.7059 Intermediate Similarity NPC478045
0.7054 Intermediate Similarity NPC324149
0.7052 Intermediate Similarity NPC58209
0.7051 Intermediate Similarity NPC326575
0.7049 Intermediate Similarity NPC476999
0.7049 Intermediate Similarity NPC217176
0.7045 Intermediate Similarity NPC84478
0.7042 Intermediate Similarity NPC122463
0.704 Intermediate Similarity NPC75179

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC99891 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
0.7991 Intermediate Similarity NPD7426 Phase 1
0.7863 Intermediate Similarity NPD7558 Phase 2
0.781 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.7699 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7699 Intermediate Similarity NPD3815 Phase 1
0.7699 Intermediate Similarity NPD3816 Phase 1
0.7607 Intermediate Similarity NPD7676 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD7675 Phase 3
0.7607 Intermediate Similarity NPD7674 Phase 3
0.7604 Intermediate Similarity NPD6569 Phase 2
0.7592 Intermediate Similarity NPD5482 Discontinued
0.7563 Intermediate Similarity NPD6494 Phase 2
0.75 Intermediate Similarity NPD4926 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6553 Clinical (unspecified phase)
0.7479 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD7859 Phase 2
0.7458 Intermediate Similarity NPD6964 Approved
0.7458 Intermediate Similarity NPD6963 Approved
0.7437 Intermediate Similarity NPD7589 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD8421 Discontinued
0.7401 Intermediate Similarity NPD1392 Approved
0.7401 Intermediate Similarity NPD7222 Phase 2
0.7391 Intermediate Similarity NPD7069 Discontinued
0.7389 Intermediate Similarity NPD32 Approved
0.7389 Intermediate Similarity NPD31 Approved
0.7389 Intermediate Similarity NPD4036 Approved
0.7389 Intermediate Similarity NPD4039 Approved
0.7389 Intermediate Similarity NPD4122 Approved
0.7389 Intermediate Similarity NPD4034 Approved
0.7389 Intermediate Similarity NPD4038 Approved
0.7389 Intermediate Similarity NPD4037 Approved
0.7389 Intermediate Similarity NPD4035 Approved
0.7389 Intermediate Similarity NPD4033 Approved
0.7376 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD5612 Discontinued
0.7366 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD6298 Discontinued
0.735 Intermediate Similarity NPD7194 Discontinued
0.7339 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7331 Intermediate Similarity NPD8247 Approved
0.7331 Intermediate Similarity NPD8246 Approved
0.7328 Intermediate Similarity NPD8359 Phase 2
0.7328 Intermediate Similarity NPD4897 Phase 2
0.7319 Intermediate Similarity NPD8479 Phase 2
0.7311 Intermediate Similarity NPD5640 Discontinued
0.7306 Intermediate Similarity NPD6790 Phase 1
0.7305 Intermediate Similarity NPD5450 Discontinued
0.7304 Intermediate Similarity NPD4900 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD7796 Approved
0.7303 Intermediate Similarity NPD7797 Approved
0.7297 Intermediate Similarity NPD4418 Discontinued
0.7289 Intermediate Similarity NPD4396 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD4372 Phase 1
0.7281 Intermediate Similarity NPD5601 Phase 2
0.7281 Intermediate Similarity NPD3003 Approved
0.7281 Intermediate Similarity NPD4901 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD3763 Approved
0.7276 Intermediate Similarity NPD6716 Phase 1
0.7269 Intermediate Similarity NPD4203 Approved
0.7269 Intermediate Similarity NPD4204 Approved
0.7265 Intermediate Similarity NPD4989 Phase 2
0.7261 Intermediate Similarity NPD6962 Phase 2
0.7257 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD4889 Approved
0.7237 Intermediate Similarity NPD4795 Phase 2
0.7236 Intermediate Similarity NPD7417 Discontinued
0.7233 Intermediate Similarity NPD6961 Discontinued
0.7231 Intermediate Similarity NPD4885 Approved
0.7217 Intermediate Similarity NPD5863 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD5658 Approved
0.7202 Intermediate Similarity NPD4373 Phase 2
0.7198 Intermediate Similarity NPD5067 Phase 2
0.7198 Intermediate Similarity NPD5066 Phase 2
0.7179 Intermediate Similarity NPD5902 Approved
0.7179 Intermediate Similarity NPD5903 Approved
0.7178 Intermediate Similarity NPD5559 Phase 2
0.7176 Intermediate Similarity NPD7955 Approved
0.7176 Intermediate Similarity NPD7956 Approved
0.7174 Intermediate Similarity NPD7453 Approved
0.7174 Intermediate Similarity NPD7452 Approved
0.7154 Intermediate Similarity NPD8370 Discontinued
0.7149 Intermediate Similarity NPD7967 Discontinued
0.7149 Intermediate Similarity NPD8512 Phase 3
0.7149 Intermediate Similarity NPD6477 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5506 Approved
0.7143 Intermediate Similarity NPD3395 Approved
0.7143 Intermediate Similarity NPD3396 Approved
0.7143 Intermediate Similarity NPD5507 Approved
0.7137 Intermediate Similarity NPD8091 Phase 3
0.713 Intermediate Similarity NPD3924 Approved
0.713 Intermediate Similarity NPD3923 Approved
0.713 Intermediate Similarity NPD3922 Approved
0.713 Intermediate Similarity NPD3921 Approved
0.7126 Intermediate Similarity NPD8442 Discontinued
0.7119 Intermediate Similarity NPD7284 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD6669 Phase 2
0.7111 Intermediate Similarity NPD6550 Discontinued
0.7107 Intermediate Similarity NPD7710 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD1768 Approved
0.7089 Intermediate Similarity NPD6985 Discontinued
0.7087 Intermediate Similarity NPD3397 Phase 2
0.7078 Intermediate Similarity NPD5801 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD4952 Phase 3
0.7068 Intermediate Similarity NPD4875 Phase 3
0.7068 Intermediate Similarity NPD6517 Phase 3
0.7068 Intermediate Similarity NPD4876 Phase 3
0.7061 Intermediate Similarity NPD1740 Approved
0.7061 Intermediate Similarity NPD1739 Approved
0.7056 Intermediate Similarity NPD6732 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD4858 Phase 2
0.7054 Intermediate Similarity NPD6246 Approved
0.7041 Intermediate Similarity NPD7416 Clinical (unspecified phase)
0.7038 Intermediate Similarity NPD7803 Approved
0.7036 Intermediate Similarity NPD8101 Phase 3
0.7035 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD3477 Phase 2
0.7032 Intermediate Similarity NPD3386 Phase 2
0.7032 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD8049 Phase 2
0.7031 Intermediate Similarity NPD8255 Phase 2
0.7029 Intermediate Similarity NPD5930 Phase 3
0.7027 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD6276 Discontinued
0.7022 Intermediate Similarity NPD4551 Phase 2
0.7017 Intermediate Similarity NPD5948 Phase 2
0.7017 Intermediate Similarity NPD6568 Discontinued
0.7008 Intermediate Similarity NPD7567 Approved
0.6996 Remote Similarity NPD7268 Clinical (unspecified phase)
0.6996 Remote Similarity NPD4021 Phase 2
0.6988 Remote Similarity NPD7886 Phase 2
0.6988 Remote Similarity NPD7706 Clinical (unspecified phase)
0.6988 Remote Similarity NPD7885 Phase 2
0.6983 Remote Similarity NPD5530 Phase 1
0.6982 Remote Similarity NPD4375 Approved
0.6979 Remote Similarity NPD3570 Phase 2
0.6979 Remote Similarity NPD4131 Phase 3
0.6971 Remote Similarity NPD1856 Discontinued
0.6968 Remote Similarity NPD5083 Clinical (unspecified phase)
0.6964 Remote Similarity NPD3321 Discontinued
0.6962 Remote Similarity NPD5417 Clinical (unspecified phase)
0.696 Remote Similarity NPD5512 Phase 3
0.6958 Remote Similarity NPD6856 Discontinued
0.6958 Remote Similarity NPD6242 Discontinued
0.6951 Remote Similarity NPD1033 Clinical (unspecified phase)
0.6951 Remote Similarity NPD1034 Phase 3
0.695 Remote Similarity NPD6530 Approved
0.695 Remote Similarity NPD6531 Approved
0.6947 Remote Similarity NPD1304 Clinical (unspecified phase)
0.6947 Remote Similarity NPD1038 Approved
0.6946 Remote Similarity NPD5632 Approved
0.6933 Remote Similarity NPD8510 Clinical (unspecified phase)
0.693 Remote Similarity NPD6206 Phase 1
0.693 Remote Similarity NPD1622 Discontinued
0.6929 Remote Similarity NPD8324 Phase 2
0.6929 Remote Similarity NPD6172 Clinical (unspecified phase)
0.6926 Remote Similarity NPD3259 Approved
0.6917 Remote Similarity NPD6501 Approved
0.6917 Remote Similarity NPD8100 Phase 3
0.6917 Remote Similarity NPD6500 Approved
0.6914 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6907 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6905 Remote Similarity NPD6573 Phase 3
0.6905 Remote Similarity NPD6572 Phase 2
0.6904 Remote Similarity NPD8327 Clinical (unspecified phase)
0.6904 Remote Similarity NPD3326 Clinical (unspecified phase)
0.6904 Remote Similarity NPD8325 Phase 3
0.6904 Remote Similarity NPD8326 Phase 3
0.6897 Remote Similarity NPD5513 Phase 2
0.6894 Remote Similarity NPD4437 Phase 3
0.6889 Remote Similarity NPD6281 Approved
0.6889 Remote Similarity NPD8063 Discontinued
0.6885 Remote Similarity NPD7708 Approved
0.6885 Remote Similarity NPD5116 Phase 1
0.6877 Remote Similarity NPD7181 Phase 3
0.6877 Remote Similarity NPD4349 Approved
0.6877 Remote Similarity NPD4350 Approved
0.6875 Remote Similarity NPD7395 Discontinued
0.6872 Remote Similarity NPD6306 Phase 2
0.687 Remote Similarity NPD6968 Phase 2
0.687 Remote Similarity NPD5022 Discontinued
0.687 Remote Similarity NPD6969 Phase 2
0.687 Remote Similarity NPD3825 Phase 3
0.6866 Remote Similarity NPD8108 Approved
0.6865 Remote Similarity NPD8117 Approved
0.6865 Remote Similarity NPD8116 Phase 3
0.6865 Remote Similarity NPD6473 Phase 1
0.6863 Remote Similarity NPD4369 Phase 2
0.6863 Remote Similarity NPD4558 Phase 2
0.6863 Remote Similarity NPD8102 Discontinued
0.686 Remote Similarity NPD4881 Clinical (unspecified phase)
0.686 Remote Similarity NPD4923 Phase 1
0.686 Remote Similarity NPD5147 Discontinued
0.6858 Remote Similarity NPD3785 Clinical (unspecified phase)
0.6856 Remote Similarity NPD2952 Discontinued
0.6855 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6855 Remote Similarity NPD4080 Discontinued
0.6854 Remote Similarity NPD8061 Clinical (unspecified phase)
0.6853 Remote Similarity NPD8016 Phase 3

Structure

External Identifiers

PubChem CID   637482
ChEMBL   CHEMBL3120496
ZINC  

Physicochemical Properties

Molecular Weight:  398.11
ALogP:  -2.4809
MLogP:  2.67
XLogP:  0.527
# Rotatable Bonds:  7
Polar Surface Area:  134.27
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  5
# Heavy Atoms:  29

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Biological Activities  
Similar NPs/Drugs