Natural Product: NPC329743

Natural Product ID:  NPC329743
Common Name:   1-O-Acetylmethyl Rocaglate
IUPAC Name:   (1R,2R,3S,3aR,8bS)-1-acetyloxy-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylic acid
Synonyms:   1-O-Acetylmethyl Rocaglate
Molecular Formula:   C29H28O9
Standard InCHIKey:  XGFHSPORRWHGPC-IDAMAFBJSA-N
Standard InCHI:  InChI=1S/C29H28O9/c1-16(30)37-26-23(27(31)32)24(17-8-6-5-7-9-17)29(18-10-12-19(34-2)13-11-18)28(26,33)25-21(36-4)14-20(35-3)15-22(25)38-29/h5-15,23-24,26,33H,1-4H3,(H,31,32)/t23-,24-,26-,28+,29+/m1/s1
Canonical SMILES:  COc1ccc(cc1)[C@]12Oc3c([C@]2(O)[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)O)OC(=O)C)c(OC)cc(c3)OC
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
NPO3427 Aglaia rubiginosa Species Meliaceae Eukaryota twigs and leaves PMID[15043407]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT858 Cell Line LNCaP Homo sapiens ED50 = 224 nM 17877337
NPT2 Others Unspecified ED50 = 206 nM 21546253
NPT91 Cell Line KB Homo sapiens ED50 = 168 nM 10.6019/CHEMBL1201861
NPT1851 Cell Line Col2 Homo sapiens ED50 = 149 nM 19228038
NPT1034 Cell Line Lu1 Homo sapiens ED50 = 112 nM 1294693
NPT737 Cell Line HUVEC Homo sapiens ED50 = 205 nM 12880316

  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 NPC329743 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
0.9934 High Similarity NPC73422
0.9934 High Similarity NPC310399
0.9868 High Similarity NPC90336
0.9868 High Similarity NPC209473
0.9375 High Similarity NPC149502
0.9375 High Similarity NPC254071
0.9375 High Similarity NPC222665
0.9375 High Similarity NPC271755
0.9267 High Similarity NPC20360
0.9202 High Similarity NPC23593
0.9202 High Similarity NPC263955
0.9146 High Similarity NPC29587
0.9141 High Similarity NPC107739
0.9091 High Similarity NPC236089
0.8874 High Similarity NPC184607
0.8808 High Similarity NPC470937
0.8758 High Similarity NPC92589
0.869 High Similarity NPC206061
0.8562 High Similarity NPC307287
0.8462 Intermediate Similarity NPC212697
0.8438 Intermediate Similarity NPC473236
0.8434 Intermediate Similarity NPC475621
0.8415 Intermediate Similarity NPC186228
0.8395 Intermediate Similarity NPC109967
0.8395 Intermediate Similarity NPC474609
0.8395 Intermediate Similarity NPC474738
0.8395 Intermediate Similarity NPC165483
0.8395 Intermediate Similarity NPC129053
0.8395 Intermediate Similarity NPC321372
0.8395 Intermediate Similarity NPC475797
0.8395 Intermediate Similarity NPC469936
0.8395 Intermediate Similarity NPC78554
0.8393 Intermediate Similarity NPC91043
0.8375 Intermediate Similarity NPC51543
0.8352 Intermediate Similarity NPC308709
0.8333 Intermediate Similarity NPC108937
0.8333 Intermediate Similarity NPC279218
0.8323 Intermediate Similarity NPC87363
0.8302 Intermediate Similarity NPC125570
0.8287 Intermediate Similarity NPC169605
0.8284 Intermediate Similarity NPC120220
0.8282 Intermediate Similarity NPC189730
0.8282 Intermediate Similarity NPC55463
0.8282 Intermediate Similarity NPC166116
0.8274 Intermediate Similarity NPC167231
0.8274 Intermediate Similarity NPC215802
0.8261 Intermediate Similarity NPC472636
0.8261 Intermediate Similarity NPC471675
0.8261 Intermediate Similarity NPC476434
0.8235 Intermediate Similarity NPC472584
0.8221 Intermediate Similarity NPC469934
0.8221 Intermediate Similarity NPC164152
0.821 Intermediate Similarity NPC473996
0.821 Intermediate Similarity NPC476238
0.821 Intermediate Similarity NPC327269
0.821 Intermediate Similarity NPC31627
0.8204 Intermediate Similarity NPC91288
0.8204 Intermediate Similarity NPC173729
0.8204 Intermediate Similarity NPC223006
0.8204 Intermediate Similarity NPC134047
0.8204 Intermediate Similarity NPC272750
0.8199 Intermediate Similarity NPC472421
0.8198 Intermediate Similarity NPC324220
0.8198 Intermediate Similarity NPC312630
0.8197 Intermediate Similarity NPC258128
0.8193 Intermediate Similarity NPC124747
0.8193 Intermediate Similarity NPC109061
0.8193 Intermediate Similarity NPC155754
0.8193 Intermediate Similarity NPC97812
0.8182 Intermediate Similarity NPC94220
0.8182 Intermediate Similarity NPC24339
0.8182 Intermediate Similarity NPC166456
0.8182 Intermediate Similarity NPC98083
0.8182 Intermediate Similarity NPC7543
0.8176 Intermediate Similarity NPC469700
0.8171 Intermediate Similarity NPC470625
0.8171 Intermediate Similarity NPC471787
0.8166 Intermediate Similarity NPC476459
0.8148 Intermediate Similarity NPC474744
0.8148 Intermediate Similarity NPC471229
0.8148 Intermediate Similarity NPC56184
0.8148 Intermediate Similarity NPC472580
0.8148 Intermediate Similarity NPC200773
0.8148 Intermediate Similarity NPC316960
0.8148 Intermediate Similarity NPC204561
0.8148 Intermediate Similarity NPC472423
0.8148 Intermediate Similarity NPC148945
0.8148 Intermediate Similarity NPC240768
0.8148 Intermediate Similarity NPC474772
0.8148 Intermediate Similarity NPC309512
0.8148 Intermediate Similarity NPC290671
0.8148 Intermediate Similarity NPC317715
0.8148 Intermediate Similarity NPC78835
0.8148 Intermediate Similarity NPC295650
0.8144 Intermediate Similarity NPC144557
0.8144 Intermediate Similarity NPC93215
0.8144 Intermediate Similarity NPC476244
0.8137 Intermediate Similarity NPC277032
0.8133 Intermediate Similarity NPC472055
0.8133 Intermediate Similarity NPC470810
0.8133 Intermediate Similarity NPC53889
0.8132 Intermediate Similarity NPC235698
0.8125 Intermediate Similarity NPC14875
0.8121 Intermediate Similarity NPC156818
0.8121 Intermediate Similarity NPC160512
0.8121 Intermediate Similarity NPC289322
0.8121 Intermediate Similarity NPC68324
0.8121 Intermediate Similarity NPC114179
0.8121 Intermediate Similarity NPC38779
0.8118 Intermediate Similarity NPC217378
0.8113 Intermediate Similarity NPC316535
0.8113 Intermediate Similarity NPC311144
0.811 Intermediate Similarity NPC473241
0.8108 Intermediate Similarity NPC293347
0.8107 Intermediate Similarity NPC82330
0.8098 Intermediate Similarity NPC210597
0.8098 Intermediate Similarity NPC477957
0.8098 Intermediate Similarity NPC65591
0.8098 Intermediate Similarity NPC178574
0.8098 Intermediate Similarity NPC285623
0.8095 Intermediate Similarity NPC214279
0.8095 Intermediate Similarity NPC471286
0.8086 Intermediate Similarity NPC476509
0.8086 Intermediate Similarity NPC267117
0.8086 Intermediate Similarity NPC327059
0.8086 Intermediate Similarity NPC321387
0.8086 Intermediate Similarity NPC475379
0.8084 Intermediate Similarity NPC96031
0.8072 Intermediate Similarity NPC50430
0.8072 Intermediate Similarity NPC470339
0.8072 Intermediate Similarity NPC87317
0.8072 Intermediate Similarity NPC40583
0.807 Intermediate Similarity NPC180768
0.807 Intermediate Similarity NPC8704
0.807 Intermediate Similarity NPC472159
0.807 Intermediate Similarity NPC287884
0.8065 Intermediate Similarity NPC474687
0.8063 Intermediate Similarity NPC299011
0.8061 Intermediate Similarity NPC300845
0.8061 Intermediate Similarity NPC250436
0.8061 Intermediate Similarity NPC291948
0.8061 Intermediate Similarity NPC61112
0.8061 Intermediate Similarity NPC198489
0.8061 Intermediate Similarity NPC127406
0.8061 Intermediate Similarity NPC104983
0.8061 Intermediate Similarity NPC88803
0.8061 Intermediate Similarity NPC215917
0.8061 Intermediate Similarity NPC20530
0.8061 Intermediate Similarity NPC475378
0.8061 Intermediate Similarity NPC10754
0.805 Intermediate Similarity NPC223185
0.805 Intermediate Similarity NPC113770
0.8049 Intermediate Similarity NPC209760
0.8049 Intermediate Similarity NPC62903
0.8049 Intermediate Similarity NPC7178
0.8049 Intermediate Similarity NPC203080
0.8049 Intermediate Similarity NPC100134
0.8049 Intermediate Similarity NPC303950
0.8049 Intermediate Similarity NPC136757
0.8047 Intermediate Similarity NPC204088
0.8047 Intermediate Similarity NPC259007
0.8047 Intermediate Similarity NPC329215
0.8038 Intermediate Similarity NPC273657
0.8038 Intermediate Similarity NPC477697
0.8038 Intermediate Similarity NPC470811
0.8038 Intermediate Similarity NPC106920
0.8038 Intermediate Similarity NPC477696
0.8037 Intermediate Similarity NPC472422
0.8037 Intermediate Similarity NPC263384
0.8037 Intermediate Similarity NPC28724
0.8037 Intermediate Similarity NPC472420
0.8037 Intermediate Similarity NPC471677
0.8037 Intermediate Similarity NPC477699
0.8037 Intermediate Similarity NPC244577
0.8037 Intermediate Similarity NPC70016
0.8037 Intermediate Similarity NPC476335
0.8037 Intermediate Similarity NPC215921
0.8037 Intermediate Similarity NPC471676
0.8036 Intermediate Similarity NPC164937
0.8036 Intermediate Similarity NPC174311
0.8036 Intermediate Similarity NPC55121
0.8036 Intermediate Similarity NPC310603
0.8035 Intermediate Similarity NPC472158
0.8026 Intermediate Similarity NPC162801
0.8025 Intermediate Similarity NPC317492
0.8025 Intermediate Similarity NPC103116
0.8025 Intermediate Similarity NPC477941
0.8025 Intermediate Similarity NPC164299
0.8024 Intermediate Similarity NPC24164
0.8024 Intermediate Similarity NPC74749
0.8024 Intermediate Similarity NPC43971
0.8024 Intermediate Similarity NPC476337
0.8024 Intermediate Similarity NPC119910
0.8024 Intermediate Similarity NPC304839
0.8024 Intermediate Similarity NPC220582
0.8024 Intermediate Similarity NPC19554
0.8012 Intermediate Similarity NPC19947
0.8012 Intermediate Similarity NPC271741
0.8012 Intermediate Similarity NPC207584
0.8012 Intermediate Similarity NPC43638

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC329743 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
0.8528 High Similarity NPD7199 Phase 2
0.8424 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8079 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8061 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8013 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.8013 Intermediate Similarity NPD6005 Phase 3
0.8013 Intermediate Similarity NPD6004 Phase 3
0.8013 Intermediate Similarity NPD6002 Phase 3
0.8013 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD7075 Discontinued
0.8 Intermediate Similarity NPD7033 Discontinued
0.7964 Intermediate Similarity NPD6234 Discontinued
0.7952 Intermediate Similarity NPD4965 Approved
0.7952 Intermediate Similarity NPD4966 Approved
0.7952 Intermediate Similarity NPD4967 Phase 2
0.7939 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD7411 Suspended
0.7922 Intermediate Similarity NPD6355 Discontinued
0.7892 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7888 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD37 Approved
0.7879 Intermediate Similarity NPD6801 Discontinued
0.7843 Intermediate Similarity NPD6798 Discontinued
0.7826 Intermediate Similarity NPD6799 Approved
0.7824 Intermediate Similarity NPD7229 Phase 3
0.7798 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7798 Intermediate Similarity NPD3749 Approved
0.7784 Intermediate Similarity NPD3817 Phase 2
0.7771 Intermediate Similarity NPD1934 Approved
0.7758 Intermediate Similarity NPD4380 Phase 2
0.7758 Intermediate Similarity NPD6599 Discontinued
0.7746 Intermediate Similarity NPD3818 Discontinued
0.7733 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD6166 Phase 2
0.7733 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD7819 Suspended
0.7719 Intermediate Similarity NPD6232 Discontinued
0.7712 Intermediate Similarity NPD4908 Phase 1
0.7697 Intermediate Similarity NPD5647 Approved
0.7688 Intermediate Similarity NPD7473 Discontinued
0.7677 Intermediate Similarity NPD6233 Phase 2
0.7673 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD7228 Approved
0.764 Intermediate Similarity NPD4628 Phase 3
0.7633 Intermediate Similarity NPD7768 Phase 2
0.7633 Intermediate Similarity NPD3882 Suspended
0.763 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD1549 Phase 2
0.7619 Intermediate Similarity NPD5760 Phase 2
0.7619 Intermediate Similarity NPD2801 Approved
0.7619 Intermediate Similarity NPD5761 Phase 2
0.7613 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD2796 Approved
0.7605 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD5494 Approved
0.76 Intermediate Similarity NPD5844 Phase 1
0.7598 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD5403 Approved
0.7574 Intermediate Similarity NPD5402 Approved
0.7571 Intermediate Similarity NPD6559 Discontinued
0.7571 Intermediate Similarity NPD7685 Pre-registration
0.7532 Intermediate Similarity NPD6653 Approved
0.7515 Intermediate Similarity NPD8455 Phase 2
0.7514 Intermediate Similarity NPD3787 Discontinued
0.7514 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD7074 Phase 3
0.7457 Intermediate Similarity NPD6959 Discontinued
0.7455 Intermediate Similarity NPD2533 Approved
0.7455 Intermediate Similarity NPD2534 Approved
0.7455 Intermediate Similarity NPD5401 Approved
0.7455 Intermediate Similarity NPD2532 Approved
0.7453 Intermediate Similarity NPD5762 Approved
0.7453 Intermediate Similarity NPD5763 Approved
0.7438 Intermediate Similarity NPD1510 Phase 2
0.743 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD3750 Approved
0.7407 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD2797 Approved
0.7401 Intermediate Similarity NPD7054 Approved
0.7394 Intermediate Similarity NPD1511 Approved
0.7391 Intermediate Similarity NPD6099 Approved
0.7391 Intermediate Similarity NPD6100 Approved
0.7389 Intermediate Similarity NPD3268 Approved
0.7375 Intermediate Similarity NPD7097 Phase 1
0.7374 Intermediate Similarity NPD7240 Approved
0.7368 Intermediate Similarity NPD1610 Phase 2
0.7365 Intermediate Similarity NPD920 Approved
0.7365 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD8434 Phase 2
0.736 Intermediate Similarity NPD7472 Approved
0.7345 Intermediate Similarity NPD3751 Discontinued
0.732 Intermediate Similarity NPD1608 Approved
0.7318 Intermediate Similarity NPD6797 Phase 2
0.7317 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD1465 Phase 2
0.7308 Intermediate Similarity NPD2861 Phase 2
0.7305 Intermediate Similarity NPD1512 Approved
0.7296 Intermediate Similarity NPD1613 Approved
0.7296 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD1240 Approved
0.7284 Intermediate Similarity NPD1551 Phase 2
0.7278 Intermediate Similarity NPD7251 Discontinued
0.7273 Intermediate Similarity NPD6190 Approved
0.7257 Intermediate Similarity NPD8127 Discontinued
0.7256 Intermediate Similarity NPD2800 Approved
0.725 Intermediate Similarity NPD5124 Phase 1
0.725 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD7808 Phase 3
0.7222 Intermediate Similarity NPD2799 Discontinued
0.7222 Intermediate Similarity NPD3748 Approved
0.7215 Intermediate Similarity NPD7095 Approved
0.7205 Intermediate Similarity NPD1607 Approved
0.7202 Intermediate Similarity NPD6273 Approved
0.7195 Intermediate Similarity NPD5958 Discontinued
0.7188 Intermediate Similarity NPD4140 Approved
0.7188 Intermediate Similarity NPD4060 Phase 1
0.7179 Intermediate Similarity NPD6362 Approved
0.7176 Intermediate Similarity NPD3226 Approved
0.7175 Intermediate Similarity NPD3926 Phase 2
0.717 Intermediate Similarity NPD3764 Approved
0.7152 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD1243 Approved
0.7152 Intermediate Similarity NPD1652 Phase 2
0.7143 Intermediate Similarity NPD5735 Approved
0.7134 Intermediate Similarity NPD2344 Approved
0.7127 Intermediate Similarity NPD5953 Discontinued
0.7126 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD4062 Phase 3
0.7124 Intermediate Similarity NPD17 Approved
0.7112 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD4110 Phase 3
0.7108 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD3027 Phase 3
0.7105 Intermediate Similarity NPD1548 Phase 1
0.7104 Intermediate Similarity NPD8313 Approved
0.7104 Intermediate Similarity NPD8312 Approved
0.7089 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD2935 Discontinued
0.707 Intermediate Similarity NPD3266 Approved
0.707 Intermediate Similarity NPD3267 Approved
0.7053 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD919 Approved
0.7044 Intermediate Similarity NPD6832 Phase 2
0.7032 Intermediate Similarity NPD422 Phase 1
0.703 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD7315 Approved
0.7019 Intermediate Similarity NPD6663 Approved
0.7017 Intermediate Similarity NPD7286 Phase 2
0.7006 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD3225 Approved
0.7006 Intermediate Similarity NPD6746 Phase 2
0.6995 Remote Similarity NPD6765 Approved
0.6995 Remote Similarity NPD6764 Approved
0.6988 Remote Similarity NPD2424 Discontinued
0.6988 Remote Similarity NPD4534 Discontinued
0.6977 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6977 Remote Similarity NPD7458 Discontinued
0.6973 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6964 Remote Similarity NPD2309 Approved
0.6957 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6957 Remote Similarity NPD2313 Discontinued
0.6943 Remote Similarity NPD4749 Approved
0.6933 Remote Similarity NPD230 Phase 1
0.6927 Remote Similarity NPD5711 Approved
0.6927 Remote Similarity NPD5710 Approved
0.6923 Remote Similarity NPD7680 Approved
0.6923 Remote Similarity NPD7497 Discontinued
0.6919 Remote Similarity NPD1653 Approved
0.6918 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6915 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6915 Remote Similarity NPD4287 Approved
0.6914 Remote Similarity NPD8032 Phase 2
0.6909 Remote Similarity NPD4308 Phase 3
0.6905 Remote Similarity NPD7466 Approved
0.6894 Remote Similarity NPD4625 Phase 3
0.6893 Remote Similarity NPD6971 Discontinued
0.6891 Remote Similarity NPD7237 Clinical (unspecified phase)
0.689 Remote Similarity NPD6353 Approved
0.6883 Remote Similarity NPD1894 Discontinued
0.6875 Remote Similarity NPD5736 Approved
0.6872 Remote Similarity NPD1247 Approved
0.6868 Remote Similarity NPD7799 Discontinued
0.6867 Remote Similarity NPD4477 Approved
0.6867 Remote Similarity NPD4476 Approved
0.6867 Remote Similarity NPD6032 Approved
0.6867 Remote Similarity NPD5712 Approved
0.6867 Remote Similarity NPD2438 Suspended
0.6865 Remote Similarity NPD7549 Discontinued
0.6855 Remote Similarity NPD1203 Approved
0.6854 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6852 Remote Similarity NPD6410 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44575584
ChEMBL   CHEMBL517992
ZINC  

Physicochemical Properties

Molecular Weight:  520.17
ALogP:  -1.9866
MLogP:  3.66
XLogP:  4.957
# Rotatable Bonds:  14
Polar Surface Area:  120.75
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  38

Download Data

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