Natural Product: NPC472813

Natural Product ID:  NPC472813
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O3
Standard InCHIKey:  PWXUPSXCSMQJEY-RIFZZMRRSA-N
Standard InCHI:  InChI=1S/C20H30O3/c1-13-7-8-17-19(3,4)9-6-10-20(17,5)15(13)12-16(21)14(2)11-18(22)23/h15,17H,1-2,6-12H2,3-5H3,(H,22,23)/t15-,17-,20+/m0/s1
Canonical SMILES:  OC(=O)CC(=C)C(=O)C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCCC2(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
NPO32474 vitex vestita Species Lamiaceae Eukaryota PMID[26034885]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT393 Cell Line HCT-116 Homo sapiens GI = 0 % 17958396
NPT2 Others Unspecified MIC > 158000 nM 23073993
NPT4839 Organism Staphylococcus intermedius Staphylococcus intermedius MIC = 100000 nM 8411013
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 158000 nM 18163588
NPT4428 Organism Staphylococcus sciuri Staphylococcus sciuri MIC = 158000 nM 15787437
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC > 158000 nM DrugMatrix in vitro pharmacology data
NPT3145 Organism Bacillus subtilis subsp. spizizenii ATCC 6633 Bacillus subtilis subsp. spizizenii ATCC 6633 MIC = 100000 nM 24894558
NPT3730 Organism Enterococcus durans Enterococcus durans MIC > 158000 nM 8254347
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 100000 nM PubChem BioAssay data set
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MIC = 158000 nM 19456120
NPT4844 Organism Enterococcus gallinarum Enterococcus gallinarum MIC > 158000 nM 12880316
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 158000 nM PubChem BioAssay data set
NPT4843 Organism Corynebacterium striatum Corynebacterium striatum MIC = 158000 nM 10479316
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC > 158000 nM 18800848
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MIC = 158000 nM PubChem BioAssay data set
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 158000 nM 22413887
NPT3721 Organism Enterococcus hirae Enterococcus hirae MIC > 158000 nM 19581457
NPT4840 Organism Staphylococcus lugdunensis Staphylococcus lugdunensis MIC = 158000 nM 20713660
NPT4844 Organism Enterococcus gallinarum Enterococcus gallinarum MIC = 158000 nM DrugMatrix in vitro pharmacology data
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 50000 nM 25634623
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 50000 nM 16643037
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 50000 nM 23691952
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 100000 nM 19845338
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC > 158000 nM 10.1584/jpestics.16.271
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC = 158000 nM 17970595
NPT1477 Organism Staphylococcus haemolyticus Staphylococcus haemolyticus MIC = 158000 nM 7131486
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC > 158000 nM Open TG-GATES in vivo data: Biochemistry
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC > 158000 nM 20146504
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 25000 nM 1593286
NPT171 Cell Line MRC5 Homo sapiens GI = 22 % 24571273
NPT4844 Organism Enterococcus gallinarum Enterococcus gallinarum MIC > 158000 nM 18345611
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC > 158000 nM 9249972
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MIC = 158000 nM 20086162
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC > 158000 nM 22054038
NPT1863 Organism Staphylococcus saprophyticus Staphylococcus saprophyticus MIC = 158000 nM 9322362
NPT2 Others Unspecified MIC = 100000 nM 23992864
NPT2 Others Unspecified MIC > 158000 nM 3443856
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 158000 nM 8450319
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC > 158000 nM 2746258
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC > 158000 nM 17988093
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC > 158000 nM 24717154
NPT393 Cell Line HCT-116 Homo sapiens GI = 46 % 15646539
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MIC > 158000 nM 18077425
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 158000 nM 19115838
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 158000 nM 8759172
NPT1863 Organism Staphylococcus saprophyticus Staphylococcus saprophyticus MIC = 158000 nM 25798528
NPT4075 Organism Enterococcus avium Enterococcus avium MIC > 158000 nM 15974580
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 158000 nM 18524419
NPT171 Cell Line MRC5 Homo sapiens GI = 25 % 20583752
NPT4845 Organism Listeria innocua Listeria innocua MIC = 158000 nM 20585136

  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 NPC472813 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
0.8649 High Similarity NPC471035
0.8649 High Similarity NPC212661
0.8592 High Similarity NPC235586
0.8571 High Similarity NPC36616
0.8571 High Similarity NPC290445
0.84 Intermediate Similarity NPC165711
0.8378 Intermediate Similarity NPC39362
0.8333 Intermediate Similarity NPC91369
0.8289 Intermediate Similarity NPC476810
0.8286 Intermediate Similarity NPC103734
0.8267 Intermediate Similarity NPC180886
0.8267 Intermediate Similarity NPC20466
0.8243 Intermediate Similarity NPC18819
0.8243 Intermediate Similarity NPC46610
0.8219 Intermediate Similarity NPC72343
0.8205 Intermediate Similarity NPC278459
0.8205 Intermediate Similarity NPC90055
0.8182 Intermediate Similarity NPC263951
0.8169 Intermediate Similarity NPC263161
0.8158 Intermediate Similarity NPC238227
0.8158 Intermediate Similarity NPC97377
0.8108 Intermediate Similarity NPC36310
0.8108 Intermediate Similarity NPC161187
0.8108 Intermediate Similarity NPC177826
0.8108 Intermediate Similarity NPC330659
0.8108 Intermediate Similarity NPC244708
0.8101 Intermediate Similarity NPC238991
0.8101 Intermediate Similarity NPC302661
0.8072 Intermediate Similarity NPC477973
0.8052 Intermediate Similarity NPC74410
0.8052 Intermediate Similarity NPC198240
0.8052 Intermediate Similarity NPC247783
0.8052 Intermediate Similarity NPC269543
0.8052 Intermediate Similarity NPC59436
0.8026 Intermediate Similarity NPC69143
0.8026 Intermediate Similarity NPC476601
0.8 Intermediate Similarity NPC105803
0.8 Intermediate Similarity NPC102197
0.8 Intermediate Similarity NPC283908
0.8 Intermediate Similarity NPC103958
0.8 Intermediate Similarity NPC183503
0.8 Intermediate Similarity NPC3753
0.8 Intermediate Similarity NPC472740
0.8 Intermediate Similarity NPC241854
0.8 Intermediate Similarity NPC251970
0.8 Intermediate Similarity NPC237591
0.8 Intermediate Similarity NPC161923
0.8 Intermediate Similarity NPC476046
0.7975 Intermediate Similarity NPC471898
0.7973 Intermediate Similarity NPC160817
0.7949 Intermediate Similarity NPC192744
0.7927 Intermediate Similarity NPC185638
0.7922 Intermediate Similarity NPC106078
0.7922 Intermediate Similarity NPC474433
0.7922 Intermediate Similarity NPC66105
0.7922 Intermediate Similarity NPC61952
0.7895 Intermediate Similarity NPC476795
0.7895 Intermediate Similarity NPC476844
0.7895 Intermediate Similarity NPC279666
0.7895 Intermediate Similarity NPC192540
0.7875 Intermediate Similarity NPC69101
0.7875 Intermediate Similarity NPC133391
0.7875 Intermediate Similarity NPC320514
0.7875 Intermediate Similarity NPC251779
0.7838 Intermediate Similarity NPC163020
0.7821 Intermediate Similarity NPC321690
0.7805 Intermediate Similarity NPC474680
0.7805 Intermediate Similarity NPC29447
0.7805 Intermediate Similarity NPC474537
0.7792 Intermediate Similarity NPC89294
0.7792 Intermediate Similarity NPC246445
0.7778 Intermediate Similarity NPC168188
0.7778 Intermediate Similarity NPC470015
0.7763 Intermediate Similarity NPC255168
0.7763 Intermediate Similarity NPC168975
0.7763 Intermediate Similarity NPC75485
0.775 Intermediate Similarity NPC263272
0.775 Intermediate Similarity NPC209318
0.775 Intermediate Similarity NPC223330
0.775 Intermediate Similarity NPC274050
0.775 Intermediate Similarity NPC232625
0.775 Intermediate Similarity NPC162632
0.775 Intermediate Similarity NPC477372
0.775 Intermediate Similarity NPC147066
0.775 Intermediate Similarity NPC267691
0.7746 Intermediate Similarity NPC53642
0.7746 Intermediate Similarity NPC470325
0.7738 Intermediate Similarity NPC48107
0.7733 Intermediate Similarity NPC133253
0.7733 Intermediate Similarity NPC21944
0.7722 Intermediate Similarity NPC199595
0.7722 Intermediate Similarity NPC471475
0.7722 Intermediate Similarity NPC477371
0.7722 Intermediate Similarity NPC192329
0.7722 Intermediate Similarity NPC231431
0.7711 Intermediate Similarity NPC85698
0.7711 Intermediate Similarity NPC9231
0.7692 Intermediate Similarity NPC107039
0.7692 Intermediate Similarity NPC149249
0.7692 Intermediate Similarity NPC471899
0.7692 Intermediate Similarity NPC68828
0.7692 Intermediate Similarity NPC476811
0.7692 Intermediate Similarity NPC471897
0.7692 Intermediate Similarity NPC74685
0.7692 Intermediate Similarity NPC472300
0.7683 Intermediate Similarity NPC96095
0.7671 Intermediate Similarity NPC469868
0.7654 Intermediate Similarity NPC258153
0.7654 Intermediate Similarity NPC123880
0.7654 Intermediate Similarity NPC476458
0.7654 Intermediate Similarity NPC471159
0.7654 Intermediate Similarity NPC260956
0.7632 Intermediate Similarity NPC35656
0.7625 Intermediate Similarity NPC108955
0.7625 Intermediate Similarity NPC37038
0.7625 Intermediate Similarity NPC2482
0.7625 Intermediate Similarity NPC476809
0.7625 Intermediate Similarity NPC472478
0.7625 Intermediate Similarity NPC26139
0.7619 Intermediate Similarity NPC476409
0.7619 Intermediate Similarity NPC181103
0.7619 Intermediate Similarity NPC305029
0.76 Intermediate Similarity NPC18543
0.7595 Intermediate Similarity NPC260385
0.7595 Intermediate Similarity NPC110094
0.7595 Intermediate Similarity NPC179028
0.7595 Intermediate Similarity NPC239098
0.7595 Intermediate Similarity NPC280654
0.7595 Intermediate Similarity NPC321514
0.7595 Intermediate Similarity NPC189485
0.759 Intermediate Similarity NPC94531
0.759 Intermediate Similarity NPC311702
0.759 Intermediate Similarity NPC123319
0.759 Intermediate Similarity NPC102292
0.7586 Intermediate Similarity NPC476416
0.7564 Intermediate Similarity NPC470525
0.7564 Intermediate Similarity NPC104806
0.7564 Intermediate Similarity NPC309399
0.7561 Intermediate Similarity NPC312480
0.7561 Intermediate Similarity NPC70834
0.7561 Intermediate Similarity NPC49019
0.7561 Intermediate Similarity NPC118800
0.7561 Intermediate Similarity NPC245866
0.7561 Intermediate Similarity NPC107253
0.7561 Intermediate Similarity NPC243347
0.7532 Intermediate Similarity NPC213223
0.7532 Intermediate Similarity NPC38426
0.7532 Intermediate Similarity NPC301065
0.7531 Intermediate Similarity NPC142244
0.7531 Intermediate Similarity NPC55869
0.7531 Intermediate Similarity NPC40228
0.7531 Intermediate Similarity NPC473217
0.7531 Intermediate Similarity NPC201912
0.7531 Intermediate Similarity NPC38350
0.7531 Intermediate Similarity NPC473420
0.7531 Intermediate Similarity NPC121984
0.7529 Intermediate Similarity NPC56413
0.7529 Intermediate Similarity NPC473229
0.7528 Intermediate Similarity NPC104568
0.75 Intermediate Similarity NPC158846
0.75 Intermediate Similarity NPC472869
0.75 Intermediate Similarity NPC192999
0.75 Intermediate Similarity NPC476812
0.75 Intermediate Similarity NPC472490
0.75 Intermediate Similarity NPC16394
0.75 Intermediate Similarity NPC476415
0.75 Intermediate Similarity NPC476438
0.7471 Intermediate Similarity NPC230064
0.7471 Intermediate Similarity NPC250753
0.747 Intermediate Similarity NPC209882
0.747 Intermediate Similarity NPC146683
0.747 Intermediate Similarity NPC19849
0.747 Intermediate Similarity NPC130966
0.747 Intermediate Similarity NPC248758
0.747 Intermediate Similarity NPC472864
0.747 Intermediate Similarity NPC97505
0.747 Intermediate Similarity NPC251170
0.7442 Intermediate Similarity NPC262043
0.7442 Intermediate Similarity NPC116620
0.7439 Intermediate Similarity NPC226988
0.7439 Intermediate Similarity NPC474605
0.7439 Intermediate Similarity NPC170985
0.7439 Intermediate Similarity NPC212083
0.7439 Intermediate Similarity NPC476935
0.7439 Intermediate Similarity NPC476292
0.7436 Intermediate Similarity NPC201027
0.7436 Intermediate Similarity NPC476346
0.7416 Intermediate Similarity NPC147232
0.7416 Intermediate Similarity NPC210214
0.7416 Intermediate Similarity NPC139459
0.7412 Intermediate Similarity NPC174619
0.7412 Intermediate Similarity NPC470012
0.7412 Intermediate Similarity NPC165895
0.7412 Intermediate Similarity NPC136948
0.7412 Intermediate Similarity NPC477926
0.7412 Intermediate Similarity NPC476932
0.7407 Intermediate Similarity NPC469637
0.7407 Intermediate Similarity NPC104545
0.7403 Intermediate Similarity NPC180015
0.7403 Intermediate Similarity NPC56747

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472813 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
0.7848 Intermediate Similarity NPD4695 Discontinued
0.7386 Intermediate Similarity NPD6399 Phase 3
0.7349 Intermediate Similarity NPD4788 Approved
0.7297 Intermediate Similarity NPD4224 Phase 2
0.7241 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD4221 Approved
0.7229 Intermediate Similarity NPD4223 Phase 3
0.7229 Intermediate Similarity NPD3667 Approved
0.7176 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD3617 Approved
0.7093 Intermediate Similarity NPD3618 Phase 1
0.7093 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD5284 Approved
0.7079 Intermediate Similarity NPD8034 Phase 2
0.7079 Intermediate Similarity NPD5281 Approved
0.7079 Intermediate Similarity NPD7515 Phase 2
0.7079 Intermediate Similarity NPD8035 Phase 2
0.7065 Intermediate Similarity NPD7902 Approved
0.7059 Intermediate Similarity NPD4197 Approved
0.7059 Intermediate Similarity NPD4786 Approved
0.7059 Intermediate Similarity NPD3665 Phase 1
0.7059 Intermediate Similarity NPD3133 Approved
0.7059 Intermediate Similarity NPD3666 Approved
0.7024 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD3573 Approved
0.6977 Remote Similarity NPD5329 Approved
0.6957 Remote Similarity NPD615 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7748 Approved
0.6923 Remote Similarity NPD4691 Approved
0.6897 Remote Similarity NPD4690 Approved
0.6897 Remote Similarity NPD5690 Phase 2
0.6897 Remote Similarity NPD4693 Phase 3
0.6897 Remote Similarity NPD4688 Approved
0.6897 Remote Similarity NPD4519 Discontinued
0.6897 Remote Similarity NPD5205 Approved
0.6897 Remote Similarity NPD6409 Approved
0.6897 Remote Similarity NPD7521 Approved
0.6897 Remote Similarity NPD7334 Approved
0.6897 Remote Similarity NPD5330 Approved
0.6897 Remote Similarity NPD4689 Approved
0.6897 Remote Similarity NPD4138 Approved
0.6897 Remote Similarity NPD4623 Approved
0.6897 Remote Similarity NPD7146 Approved
0.6897 Remote Similarity NPD6684 Approved
0.6835 Remote Similarity NPD6081 Approved
0.6809 Remote Similarity NPD5696 Approved
0.6795 Remote Similarity NPD4137 Phase 3
0.6774 Remote Similarity NPD7614 Phase 1
0.6742 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6672 Approved
0.6742 Remote Similarity NPD6903 Approved
0.6742 Remote Similarity NPD5208 Approved
0.6742 Remote Similarity NPD5737 Approved
0.6739 Remote Similarity NPD7900 Approved
0.6739 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6711 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6709 Remote Similarity NPD4747 Approved
0.6705 Remote Similarity NPD6098 Approved
0.6705 Remote Similarity NPD5279 Phase 3
0.6705 Remote Similarity NPD4694 Approved
0.6705 Remote Similarity NPD5280 Approved
0.6703 Remote Similarity NPD6079 Approved
0.6702 Remote Similarity NPD6084 Phase 2
0.6702 Remote Similarity NPD6083 Phase 2
0.6667 Remote Similarity NPD4753 Phase 2
0.6667 Remote Similarity NPD3668 Phase 3
0.6667 Remote Similarity NPD6080 Approved
0.6667 Remote Similarity NPD5210 Approved
0.6667 Remote Similarity NPD5695 Phase 3
0.6667 Remote Similarity NPD4195 Approved
0.6667 Remote Similarity NPD4629 Approved
0.6667 Remote Similarity NPD5328 Approved
0.6667 Remote Similarity NPD6673 Approved
0.6667 Remote Similarity NPD6904 Approved
0.6667 Remote Similarity NPD4058 Approved
0.6623 Remote Similarity NPD7331 Phase 2
0.6596 Remote Similarity NPD4697 Phase 3
0.6593 Remote Similarity NPD5207 Approved
0.6559 Remote Similarity NPD6001 Approved
0.6522 Remote Similarity NPD5693 Phase 1
0.6512 Remote Similarity NPD4692 Approved
0.6512 Remote Similarity NPD4139 Approved
0.6494 Remote Similarity NPD7341 Phase 2
0.6489 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6463 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6458 Remote Similarity NPD4225 Approved
0.6456 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6456 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6456 Remote Similarity NPD5360 Phase 3
0.6452 Remote Similarity NPD4202 Approved
0.6421 Remote Similarity NPD5222 Approved
0.6421 Remote Similarity NPD5221 Approved
0.6421 Remote Similarity NPD5220 Clinical (unspecified phase)
0.642 Remote Similarity NPD5276 Approved
0.6413 Remote Similarity NPD4096 Approved
0.6413 Remote Similarity NPD5785 Approved
0.6413 Remote Similarity NPD5692 Phase 3
0.6408 Remote Similarity NPD6649 Approved
0.6408 Remote Similarity NPD6650 Approved
0.6404 Remote Similarity NPD5363 Approved
0.6404 Remote Similarity NPD1694 Approved
0.6386 Remote Similarity NPD3702 Approved
0.6375 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6375 Remote Similarity NPD3698 Phase 2
0.6375 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6374 Remote Similarity NPD4518 Approved
0.6373 Remote Similarity NPD6373 Approved
0.6373 Remote Similarity NPD6372 Approved
0.6354 Remote Similarity NPD5173 Approved
0.6353 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6344 Remote Similarity NPD5694 Approved
0.6344 Remote Similarity NPD6050 Approved
0.6344 Remote Similarity NPD6411 Approved
0.6337 Remote Similarity NPD5697 Approved
0.6322 Remote Similarity NPD5369 Approved
0.631 Remote Similarity NPD6117 Approved
0.6296 Remote Similarity NPD4789 Approved
0.6296 Remote Similarity NPD4244 Approved
0.6296 Remote Similarity NPD4245 Approved
0.6275 Remote Similarity NPD6899 Approved
0.6275 Remote Similarity NPD6011 Approved
0.6275 Remote Similarity NPD6881 Approved
0.6269 Remote Similarity NPD634 Phase 3
0.6265 Remote Similarity NPD4687 Approved
0.6265 Remote Similarity NPD5733 Approved
0.6263 Remote Similarity NPD5091 Approved
0.625 Remote Similarity NPD4269 Approved
0.625 Remote Similarity NPD4270 Approved
0.625 Remote Similarity NPD9298 Approved
0.625 Remote Similarity NPD7732 Phase 3
0.6238 Remote Similarity NPD6402 Approved
0.6238 Remote Similarity NPD5739 Approved
0.6238 Remote Similarity NPD6675 Approved
0.6238 Remote Similarity NPD7128 Approved
0.6235 Remote Similarity NPD6116 Phase 1
0.6234 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6224 Remote Similarity NPD6404 Discontinued
0.6224 Remote Similarity NPD2066 Phase 3
0.6224 Remote Similarity NPD5286 Approved
0.6224 Remote Similarity NPD5285 Approved
0.6224 Remote Similarity NPD4696 Approved
0.622 Remote Similarity NPD4758 Discontinued
0.622 Remote Similarity NPD4808 Clinical (unspecified phase)
0.622 Remote Similarity NPD5777 Approved
0.622 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6214 Remote Similarity NPD6013 Approved
0.6214 Remote Similarity NPD6014 Approved
0.6214 Remote Similarity NPD6012 Approved
0.6186 Remote Similarity NPD4755 Approved
0.6176 Remote Similarity NPD5701 Approved
0.6163 Remote Similarity NPD6118 Approved
0.6163 Remote Similarity NPD6114 Approved
0.6163 Remote Similarity NPD6115 Approved
0.6163 Remote Similarity NPD6697 Approved
0.6162 Remote Similarity NPD5223 Approved
0.6154 Remote Similarity NPD5786 Approved
0.6154 Remote Similarity NPD7102 Approved
0.6154 Remote Similarity NPD7290 Approved
0.6154 Remote Similarity NPD6883 Approved
0.6146 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6129 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6129 Remote Similarity NPD6101 Approved
0.6122 Remote Similarity NPD7638 Approved
0.6118 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6117 Remote Similarity NPD6686 Approved
0.6117 Remote Similarity NPD7320 Approved
0.6111 Remote Similarity NPD7115 Discovery
0.6111 Remote Similarity NPD3172 Approved
0.6105 Remote Similarity NPD5133 Approved
0.61 Remote Similarity NPD5225 Approved
0.61 Remote Similarity NPD5226 Approved
0.61 Remote Similarity NPD5224 Approved
0.61 Remote Similarity NPD4633 Approved
0.61 Remote Similarity NPD5211 Phase 2
0.6095 Remote Similarity NPD8130 Phase 1
0.6095 Remote Similarity NPD6869 Approved
0.6095 Remote Similarity NPD6617 Approved
0.6095 Remote Similarity NPD6847 Approved
0.6087 Remote Similarity NPD622 Approved
0.6078 Remote Similarity NPD6008 Approved
0.6071 Remote Similarity NPD4785 Approved
0.6071 Remote Similarity NPD4784 Approved
0.6071 Remote Similarity NPD6924 Approved
0.6071 Remote Similarity NPD6926 Approved
0.6061 Remote Similarity NPD7639 Approved
0.6061 Remote Similarity NPD7640 Approved
0.6061 Remote Similarity NPD4700 Approved
0.6047 Remote Similarity NPD4756 Discovery
0.6042 Remote Similarity NPD5122 Clinical (unspecified phase)
0.604 Remote Similarity NPD1929 Approved
0.604 Remote Similarity NPD1931 Clinical (unspecified phase)
0.604 Remote Similarity NPD5174 Approved
0.604 Remote Similarity NPD5175 Approved
0.604 Remote Similarity NPD6052 Approved
0.604 Remote Similarity NPD1930 Approved
0.6038 Remote Similarity NPD6882 Approved
0.6038 Remote Similarity NPD8297 Approved
0.6027 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6027 Remote Similarity NPD4266 Approved
0.6027 Remote Similarity NPD3194 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3586266
ZINC  

Physicochemical Properties

Molecular Weight:  318.22
ALogP:  1.6692
MLogP:  3.33
XLogP:  5.674
# Rotatable Bonds:  9
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  23

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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