Natural Product: NPC137580

Natural Product ID:  NPC137580
Common Name:   Nootkastatin 2
IUPAC Name:   (6S,7aS,11aS)-8,8,11a-trimethyl-4-propan-2-yl-6-propan-2-yloxy-6,7,7a,9,10,11-hexahydrobenzo[d][1]benzoxepin-3-ol
Synonyms:   Nootkastatin 2
Molecular Formula:   C23H36O3
Standard InCHIKey:  DQQSNOMAPLESJP-SFYKDHMMSA-N
Standard InCHI:  InChI=1S/C23H36O3/c1-14(2)20-17(24)10-9-16-21(20)26-19(25-15(3)4)13-18-22(5,6)11-8-12-23(16,18)7/h9-10,14-15,18-19,24H,8,11-13H2,1-7H3/t18-,19-,23+/m0/s1
Canonical SMILES:  CC(O[C@H]1Oc2c(C(C)C)c(O)ccc2[C@@]2([C@@H](C1)C(C)(C)CCC2)C)C
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
NPO29845 Chamaecyparis nootkatensis Species Cupressaceae Eukaryota Alaska PMID[15387645]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1521 Organism Stenotrophomonas maltophilia Stenotrophomonas maltophilia MIC > 64 ug/ml 22537362
NPT1522 Organism Neisseria gonorrhoeae Neisseria gonorrhoeae MIC > 64 ug/ml 22537362
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC > 64 ug/ml 25765759
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MBC = 8 ug/ml 20356064
NPT1033 Organism Enterobacter cloacae Enterobacter cloacae MIC > 64 ug/ml 22940450
NPT20 Organism Candida albicans Candida albicans MIC > 64 ug/ml 20961671
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 2 ug/ml 22197389
NPT575 Cell Line KM-20L2 Homo sapiens GI50 = 2.4 ug/ml 22119127
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 64 ug/ml 23252603
NPT554 Organism Candida glabrata Candida glabrata MIC > 64 ug/ml 23252603
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC > 64 ug/ml 18207393
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC > 64 ug/ml 18680277
NPT19 Organism Escherichia coli Escherichia coli MIC > 64 ug/ml 10978218
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC > 64 ug/ml 10978218
NPT395 Cell Line SF-268 Homo sapiens GI50 = 2 ug/ml 9358638
NPT1081 Cell Line BXPC-3 Homo sapiens GI50 = 1.8 ug/ml 9358638
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes MIC > 64 ug/ml 23046382
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC > 64 ug/ml 18183025
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans MIC = 64 ug/ml 18687006
NPT90 Cell Line DU-145 Homo sapiens GI50 = 2.2 ug/ml 10.1007/s00044-011-9583-7
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 4 ug/ml 26425784
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC = 64 ug/ml 12762798
NPT168 Cell Line P388 Mus musculus ED50 = 5.8 ug/ml 19596885
NPT3649 Organism Rhodococcus sp. Rhodococcus sp. MIC > 64 ug/ml 18973388
NPT83 Cell Line MCF7 Homo sapiens GI50 = 2.3 ug/ml 18973388
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 1 ug/ml 19391605
NPT729 Organism Micrococcus luteus Micrococcus luteus MBC = 16 ug/ml 20000694
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MBC = 32 ug/ml 9322367
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MBC = 64 ug/ml 18334299
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 2 ug/ml 12542345
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans MIC > 64 ug/ml 22044245
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC > 64 ug/ml 23013292
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 64 ug/ml 18725180
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans MIC > 64 ug/ml 16441066
NPT1522 Organism Neisseria gonorrhoeae Neisseria gonorrhoeae MIC = 2 ug/ml 19467602
NPT1522 Organism Neisseria gonorrhoeae Neisseria gonorrhoeae MBC = 2 ug/ml 19467602

  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 NPC137580 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
0.8815 High Similarity NPC24913
0.8815 High Similarity NPC177712
0.8797 High Similarity NPC474494
0.8797 High Similarity NPC25729
0.8657 High Similarity NPC93962
0.8643 High Similarity NPC5155
0.8582 High Similarity NPC139976
0.8582 High Similarity NPC230718
0.8582 High Similarity NPC128337
0.8582 High Similarity NPC53986
0.8582 High Similarity NPC49542
0.8582 High Similarity NPC38664
0.8582 High Similarity NPC84207
0.8582 High Similarity NPC5253
0.8561 High Similarity NPC134195
0.8561 High Similarity NPC246648
0.8561 High Similarity NPC197351
0.8561 High Similarity NPC106914
0.8561 High Similarity NPC86502
0.8529 High Similarity NPC12875
0.8529 High Similarity NPC476166
0.8529 High Similarity NPC207892
0.8529 High Similarity NPC280653
0.8529 High Similarity NPC300875
0.8529 High Similarity NPC181497
0.8529 High Similarity NPC271945
0.8529 High Similarity NPC150011
0.8529 High Similarity NPC17343
0.8529 High Similarity NPC118114
0.8529 High Similarity NPC196765
0.8529 High Similarity NPC206224
0.8529 High Similarity NPC129106
0.8529 High Similarity NPC164574
0.8529 High Similarity NPC268917
0.8529 High Similarity NPC129784
0.8529 High Similarity NPC228369
0.8529 High Similarity NPC236014
0.8503 High Similarity NPC476452
0.8496 Intermediate Similarity NPC285040
0.8496 Intermediate Similarity NPC188022
0.8496 Intermediate Similarity NPC102540
0.8496 Intermediate Similarity NPC17809
0.8496 Intermediate Similarity NPC103420
0.8478 Intermediate Similarity NPC473107
0.8467 Intermediate Similarity NPC13005
0.8462 Intermediate Similarity NPC177597
0.8456 Intermediate Similarity NPC470225
0.8456 Intermediate Similarity NPC27187
0.8444 Intermediate Similarity NPC274717
0.8433 Intermediate Similarity NPC50315
0.8433 Intermediate Similarity NPC276212
0.8433 Intermediate Similarity NPC230479
0.8433 Intermediate Similarity NPC283049
0.8433 Intermediate Similarity NPC26879
0.8425 Intermediate Similarity NPC470208
0.8425 Intermediate Similarity NPC295573
0.8409 Intermediate Similarity NPC100099
0.8409 Intermediate Similarity NPC36016
0.8409 Intermediate Similarity NPC150026
0.8409 Intermediate Similarity NPC57199
0.8403 Intermediate Similarity NPC180953
0.8394 Intermediate Similarity NPC118683
0.8394 Intermediate Similarity NPC293203
0.8394 Intermediate Similarity NPC244888
0.8394 Intermediate Similarity NPC211413
0.8394 Intermediate Similarity NPC68205
0.8394 Intermediate Similarity NPC164804
0.837 Intermediate Similarity NPC149796
0.837 Intermediate Similarity NPC473134
0.8358 Intermediate Similarity NPC81641
0.8357 Intermediate Similarity NPC471522
0.8346 Intermediate Similarity NPC38761
0.8346 Intermediate Similarity NPC76465
0.8345 Intermediate Similarity NPC107120
0.8345 Intermediate Similarity NPC223008
0.8345 Intermediate Similarity NPC115335
0.8345 Intermediate Similarity NPC74320
0.8345 Intermediate Similarity NPC97834
0.8345 Intermediate Similarity NPC225696
0.8345 Intermediate Similarity NPC296915
0.8345 Intermediate Similarity NPC198154
0.8333 Intermediate Similarity NPC54972
0.8333 Intermediate Similarity NPC193364
0.8333 Intermediate Similarity NPC225445
0.8309 Intermediate Similarity NPC47283
0.8309 Intermediate Similarity NPC39064
0.8308 Intermediate Similarity NPC131118
0.8298 Intermediate Similarity NPC87777
0.8298 Intermediate Similarity NPC470308
0.8298 Intermediate Similarity NPC262328
0.8298 Intermediate Similarity NPC470307
0.8286 Intermediate Similarity NPC79957
0.8273 Intermediate Similarity NPC85435
0.8273 Intermediate Similarity NPC77196
0.8273 Intermediate Similarity NPC215037
0.8264 Intermediate Similarity NPC116922
0.8261 Intermediate Similarity NPC103799
0.8252 Intermediate Similarity NPC210192
0.8252 Intermediate Similarity NPC108674
0.8248 Intermediate Similarity NPC134360
0.8243 Intermediate Similarity NPC472710
0.8243 Intermediate Similarity NPC472709
0.8231 Intermediate Similarity NPC270751
0.8222 Intermediate Similarity NPC293801
0.8222 Intermediate Similarity NPC105031
0.8219 Intermediate Similarity NPC471608
0.8214 Intermediate Similarity NPC117048
0.8214 Intermediate Similarity NPC124085
0.8207 Intermediate Similarity NPC473845
0.8201 Intermediate Similarity NPC472798
0.8195 Intermediate Similarity NPC476633
0.8194 Intermediate Similarity NPC472353
0.8188 Intermediate Similarity NPC259707
0.8188 Intermediate Similarity NPC262606
0.8182 Intermediate Similarity NPC258979
0.8182 Intermediate Similarity NPC8283
0.8182 Intermediate Similarity NPC93398
0.8182 Intermediate Similarity NPC282255
0.8182 Intermediate Similarity NPC3239
0.8169 Intermediate Similarity NPC474687
0.8169 Intermediate Similarity NPC134260
0.8169 Intermediate Similarity NPC131198
0.8162 Intermediate Similarity NPC262573
0.8162 Intermediate Similarity NPC471215
0.8156 Intermediate Similarity NPC125579
0.8154 Intermediate Similarity NPC85292
0.8154 Intermediate Similarity NPC54507
0.8154 Intermediate Similarity NPC229147
0.8151 Intermediate Similarity NPC475096
0.8148 Intermediate Similarity NPC159132
0.8143 Intermediate Similarity NPC469610
0.8143 Intermediate Similarity NPC92805
0.8138 Intermediate Similarity NPC472451
0.8138 Intermediate Similarity NPC474104
0.8134 Intermediate Similarity NPC74137
0.8133 Intermediate Similarity NPC59692
0.8129 Intermediate Similarity NPC162801
0.8129 Intermediate Similarity NPC8899
0.8125 Intermediate Similarity NPC472791
0.8125 Intermediate Similarity NPC35216
0.8125 Intermediate Similarity NPC472792
0.8125 Intermediate Similarity NPC138149
0.812 Intermediate Similarity NPC102639
0.8116 Intermediate Similarity NPC472797
0.8112 Intermediate Similarity NPC32630
0.8112 Intermediate Similarity NPC475836
0.8108 Intermediate Similarity NPC71726
0.8106 Intermediate Similarity NPC295259
0.8099 Intermediate Similarity NPC472800
0.8099 Intermediate Similarity NPC20829
0.8099 Intermediate Similarity NPC262585
0.8099 Intermediate Similarity NPC3049
0.8099 Intermediate Similarity NPC126101
0.8099 Intermediate Similarity NPC18189
0.8095 Intermediate Similarity NPC190714
0.8095 Intermediate Similarity NPC155564
0.8095 Intermediate Similarity NPC99515
0.8095 Intermediate Similarity NPC102280
0.8095 Intermediate Similarity NPC248053
0.8085 Intermediate Similarity NPC476616
0.8085 Intermediate Similarity NPC476617
0.8085 Intermediate Similarity NPC476615
0.8077 Intermediate Similarity NPC464
0.8077 Intermediate Similarity NPC185541
0.8071 Intermediate Similarity NPC469611
0.8071 Intermediate Similarity NPC321086
0.8069 Intermediate Similarity NPC41782
0.8069 Intermediate Similarity NPC20631
0.8069 Intermediate Similarity NPC93640
0.8069 Intermediate Similarity NPC253878
0.8058 Intermediate Similarity NPC474491
0.8058 Intermediate Similarity NPC473048
0.8056 Intermediate Similarity NPC109240
0.8043 Intermediate Similarity NPC87224
0.8043 Intermediate Similarity NPC222572
0.8043 Intermediate Similarity NPC223912
0.8042 Intermediate Similarity NPC306365
0.8042 Intermediate Similarity NPC477938
0.8041 Intermediate Similarity NPC193473
0.8041 Intermediate Similarity NPC275284
0.8041 Intermediate Similarity NPC114505
0.8041 Intermediate Similarity NPC224674
0.8041 Intermediate Similarity NPC31325
0.8041 Intermediate Similarity NPC227902
0.8041 Intermediate Similarity NPC15956
0.8041 Intermediate Similarity NPC213074
0.8041 Intermediate Similarity NPC39657
0.803 Intermediate Similarity NPC74821
0.8029 Intermediate Similarity NPC170485
0.8028 Intermediate Similarity NPC11727
0.8028 Intermediate Similarity NPC15109
0.8028 Intermediate Similarity NPC473413
0.8027 Intermediate Similarity NPC476301
0.8027 Intermediate Similarity NPC90645
0.8027 Intermediate Similarity NPC43508
0.8015 Intermediate Similarity NPC256015
0.8015 Intermediate Similarity NPC294156
0.8014 Intermediate Similarity NPC115022
0.8014 Intermediate Similarity NPC473044
0.8014 Intermediate Similarity NPC31849

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC137580 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
0.8456 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD1610 Phase 2
0.8309 Intermediate Similarity NPD4908 Phase 1
0.8188 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.803 Intermediate Similarity NPD1548 Phase 1
0.8029 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7986 Intermediate Similarity NPD4625 Phase 3
0.781 Intermediate Similarity NPD4749 Approved
0.7794 Intermediate Similarity NPD1091 Approved
0.7714 Intermediate Similarity NPD2861 Phase 2
0.7676 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7671 Intermediate Similarity NPD6100 Approved
0.7671 Intermediate Similarity NPD6099 Approved
0.7664 Intermediate Similarity NPD422 Phase 1
0.7639 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7639 Intermediate Similarity NPD5124 Phase 1
0.7635 Intermediate Similarity NPD6674 Discontinued
0.7626 Intermediate Similarity NPD8651 Approved
0.7626 Intermediate Similarity NPD6696 Suspended
0.7569 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD1613 Approved
0.7569 Intermediate Similarity NPD4060 Phase 1
0.7483 Intermediate Similarity NPD3027 Phase 3
0.7467 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD5327 Phase 3
0.7429 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD7157 Approved
0.7405 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD5735 Approved
0.7343 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD4140 Approved
0.7325 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD6671 Approved
0.7278 Intermediate Similarity NPD37 Approved
0.7273 Intermediate Similarity NPD7447 Phase 1
0.7273 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD6234 Discontinued
0.7255 Intermediate Similarity NPD6667 Approved
0.7255 Intermediate Similarity NPD6666 Approved
0.725 Intermediate Similarity NPD4966 Approved
0.725 Intermediate Similarity NPD4967 Phase 2
0.725 Intermediate Similarity NPD7768 Phase 2
0.725 Intermediate Similarity NPD4965 Approved
0.7248 Intermediate Similarity NPD4108 Discontinued
0.7244 Intermediate Similarity NPD1653 Approved
0.7237 Intermediate Similarity NPD3750 Approved
0.7233 Intermediate Similarity NPD7819 Suspended
0.7233 Intermediate Similarity NPD8455 Phase 2
0.723 Intermediate Similarity NPD6353 Approved
0.723 Intermediate Similarity NPD4097 Suspended
0.7209 Intermediate Similarity NPD940 Approved
0.7209 Intermediate Similarity NPD846 Approved
0.7208 Intermediate Similarity NPD7213 Phase 3
0.7208 Intermediate Similarity NPD7212 Phase 2
0.7205 Intermediate Similarity NPD7075 Discontinued
0.72 Intermediate Similarity NPD4477 Approved
0.72 Intermediate Similarity NPD4476 Approved
0.7183 Intermediate Similarity NPD3685 Discontinued
0.7178 Intermediate Similarity NPD7199 Phase 2
0.7169 Intermediate Similarity NPD7228 Approved
0.7162 Intermediate Similarity NPD6355 Discontinued
0.7152 Intermediate Similarity NPD5762 Approved
0.7152 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD5763 Approved
0.7152 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2684 Approved
0.7143 Intermediate Similarity NPD4626 Approved
0.7143 Intermediate Similarity NPD5058 Phase 3
0.7125 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD7466 Approved
0.7124 Intermediate Similarity NPD3892 Phase 2
0.7122 Intermediate Similarity NPD7741 Discontinued
0.7107 Intermediate Similarity NPD6072 Discontinued
0.7105 Intermediate Similarity NPD1549 Phase 2
0.7101 Intermediate Similarity NPD7340 Approved
0.7101 Intermediate Similarity NPD6559 Discontinued
0.7095 Intermediate Similarity NPD2238 Phase 2
0.7091 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD4750 Phase 3
0.7086 Intermediate Similarity NPD2796 Approved
0.7083 Intermediate Similarity NPD7074 Phase 3
0.7083 Intermediate Similarity NPD2797 Approved
0.7071 Intermediate Similarity NPD3443 Approved
0.7071 Intermediate Similarity NPD3445 Approved
0.7071 Intermediate Similarity NPD5691 Approved
0.7071 Intermediate Similarity NPD3444 Approved
0.7071 Intermediate Similarity NPD1357 Approved
0.7068 Intermediate Similarity NPD290 Approved
0.7067 Intermediate Similarity NPD7097 Phase 1
0.7067 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7843 Approved
0.7059 Intermediate Similarity NPD1138 Approved
0.7059 Intermediate Similarity NPD2800 Approved
0.7051 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD3705 Approved
0.7039 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD6004 Phase 3
0.7039 Intermediate Similarity NPD6005 Phase 3
0.7039 Intermediate Similarity NPD6002 Phase 3
0.7034 Intermediate Similarity NPD3691 Phase 2
0.7034 Intermediate Similarity NPD3690 Phase 2
0.703 Intermediate Similarity NPD7229 Phase 3
0.7029 Intermediate Similarity NPD6387 Discontinued
0.7024 Intermediate Similarity NPD7054 Approved
0.7021 Intermediate Similarity NPD1778 Approved
0.702 Intermediate Similarity NPD2799 Discontinued
0.7013 Intermediate Similarity NPD4628 Phase 3
0.7013 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6651 Approved
0.7 Intermediate Similarity NPD7411 Suspended
0.6993 Remote Similarity NPD970 Clinical (unspecified phase)
0.6992 Remote Similarity NPD968 Approved
0.6985 Remote Similarity NPD1139 Approved
0.6985 Remote Similarity NPD1137 Approved
0.6982 Remote Similarity NPD7472 Approved
0.6981 Remote Similarity NPD7458 Discontinued
0.698 Remote Similarity NPD3619 Clinical (unspecified phase)
0.698 Remote Similarity NPD1240 Approved
0.698 Remote Similarity NPD3620 Phase 2
0.6972 Remote Similarity NPD3496 Discontinued
0.697 Remote Similarity NPD6959 Discontinued
0.6964 Remote Similarity NPD3818 Discontinued
0.6957 Remote Similarity NPD6801 Discontinued
0.6954 Remote Similarity NPD4536 Approved
0.6954 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6954 Remote Similarity NPD4538 Approved
0.6948 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6948 Remote Similarity NPD1652 Phase 2
0.6944 Remote Similarity NPD6583 Phase 3
0.6944 Remote Similarity NPD6582 Phase 2
0.6943 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6937 Remote Similarity NPD4380 Phase 2
0.6937 Remote Similarity NPD6599 Discontinued
0.6923 Remote Similarity NPD3020 Approved
0.6918 Remote Similarity NPD6584 Phase 3
0.6918 Remote Similarity NPD4624 Approved
0.6914 Remote Similarity NPD7046 Clinical (unspecified phase)
0.6908 Remote Similarity NPD3748 Approved
0.6908 Remote Similarity NPD7033 Discontinued
0.6908 Remote Similarity NPD1510 Phase 2
0.6901 Remote Similarity NPD7251 Discontinued
0.6892 Remote Similarity NPD7095 Approved
0.6887 Remote Similarity NPD2157 Approved
0.6887 Remote Similarity NPD1607 Approved
0.6884 Remote Similarity NPD1398 Phase 1
0.6879 Remote Similarity NPD3091 Approved
0.6879 Remote Similarity NPD7040 Clinical (unspecified phase)
0.6879 Remote Similarity NPD7041 Phase 2
0.6875 Remote Similarity NPD1608 Approved
0.6871 Remote Similarity NPD2560 Approved
0.6871 Remote Similarity NPD5736 Approved
0.6871 Remote Similarity NPD2563 Approved
0.6871 Remote Similarity NPD3018 Phase 2
0.6863 Remote Similarity NPD1551 Phase 2
0.686 Remote Similarity NPD7808 Phase 3
0.6852 Remote Similarity NPD1934 Approved
0.6846 Remote Similarity NPD3268 Approved
0.6846 Remote Similarity NPD6798 Discontinued
0.6845 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6797 Phase 2
0.6842 Remote Similarity NPD2200 Suspended
0.6835 Remote Similarity NPD2534 Approved
0.6835 Remote Similarity NPD2532 Approved
0.6835 Remote Similarity NPD2533 Approved
0.6831 Remote Similarity NPD5585 Approved
0.6824 Remote Similarity NPD5844 Phase 1
0.6822 Remote Similarity NPD1809 Phase 2
0.6818 Remote Similarity NPD7266 Discontinued
0.6812 Remote Similarity NPD821 Approved
0.6812 Remote Similarity NPD5535 Approved
0.6806 Remote Similarity NPD3092 Approved
0.6802 Remote Similarity NPD7240 Approved
0.68 Remote Similarity NPD8032 Phase 2
0.6797 Remote Similarity NPD5588 Approved
0.6797 Remote Similarity NPD5960 Phase 3
0.6795 Remote Similarity NPD7003 Approved
0.6792 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6788 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6786 Remote Similarity NPD709 Approved
0.6783 Remote Similarity NPD2667 Approved
0.6783 Remote Similarity NPD5126 Approved
0.6783 Remote Similarity NPD5125 Phase 3
0.6783 Remote Similarity NPD2668 Approved
0.6781 Remote Similarity NPD1283 Approved
0.6774 Remote Similarity NPD2424 Discontinued
0.6772 Remote Similarity NPD6799 Approved
0.677 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6763 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6763 Remote Similarity NPD5283 Phase 1
0.6759 Remote Similarity NPD2232 Approved
0.6759 Remote Similarity NPD2230 Approved
0.6759 Remote Similarity NPD2231 Phase 2
0.6759 Remote Similarity NPD2233 Approved
0.6759 Remote Similarity NPD2235 Phase 2

Structure

External Identifiers

PubChem CID   11417100
ChEMBL   CHEMBL458910
ZINC  

Physicochemical Properties

Molecular Weight:  360.27
ALogP:  0.5931
MLogP:  3.66
XLogP:  7.532
# Rotatable Bonds:  11
Polar Surface Area:  38.69
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  26

Download Data

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