Natural Product: NPC311070

Natural Product ID:  NPC311070
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O3
Standard InCHIKey:  YIFIMTKQFWTJEA-PFRQMTDMSA-N
Standard InCHI:  InChI=1S/C20H30O3/c1-13-6-7-17-19(2,3)8-5-9-20(17,4)15(13)11-16(21)14-10-18(22)23-12-14/h10,15-17,21H,1,5-9,11-12H2,2-4H3/t15-,16+,17-,20+/m0/s1
Canonical SMILES:  O=C1OCC(=C1)[C@@H](C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCCC2(C)C)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
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 = 3 % 17958396
NPT2 Others Unspecified MIC > 188000 nM 23073993
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MIC > 188000 nM 22070654
NPT4428 Organism Staphylococcus sciuri Staphylococcus sciuri MIC > 188000 nM 25993496
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 188000 nM 18163588
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 188000 nM PubChem BioAssay data set
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC = 50000 nM DrugMatrix in vitro pharmacology data
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MIC > 188000 nM 10.6019/CHEMBL1201861
NPT314 Organism Bacillus cereus Bacillus cereus MIC <= 188000 nM 10.6019/CHEMBL1201861
NPT4844 Organism Enterococcus gallinarum Enterococcus gallinarum MIC > 188000 nM 12880316
NPT3145 Organism Bacillus subtilis subsp. spizizenii ATCC 6633 Bacillus subtilis subsp. spizizenii ATCC 6633 MIC > 188000 nM 10479316
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC = 50000 nM 18800848
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 188000 nM 23819826
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC > 188000 nM 18824352
NPT4840 Organism Staphylococcus lugdunensis Staphylococcus lugdunensis MIC > 188000 nM 20713660
NPT4844 Organism Enterococcus gallinarum Enterococcus gallinarum MIC > 188000 nM DrugMatrix in vitro pharmacology data
NPT314 Organism Bacillus cereus Bacillus cereus MIC <= 188000 nM 16643037
NPT314 Organism Bacillus cereus Bacillus cereus MIC <= 188000 nM 16643032
NPT2 Others Unspecified MIC = 50000 nM 16417306
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 50000 nM 10.1584/jpestics.16.271
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC <= 188000 nM 17970595
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 188000 nM 24645629
NPT1477 Organism Staphylococcus haemolyticus Staphylococcus haemolyticus MIC > 188000 nM 10395485
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC > 188000 nM Open TG-GATES in vivo data: Biochemistry
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 50000 nM 23691952
NPT314 Organism Bacillus cereus Bacillus cereus MIC <= 188000 nM 1593286
NPT171 Cell Line MRC5 Homo sapiens GI = 86 % 24571273
NPT4844 Organism Enterococcus gallinarum Enterococcus gallinarum MIC > 188000 nM 11170658
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 50000 nM 12398543
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MIC > 188000 nM 20086162
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC = 50000 nM 22055713
NPT4843 Organism Corynebacterium striatum Corynebacterium striatum MIC > 188000 nM 23398362
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC > 188000 nM 12670149
NPT1863 Organism Staphylococcus saprophyticus Staphylococcus saprophyticus MIC > 188000 nM 9322362
NPT2 Others Unspecified MIC > 188000 nM 24216090
NPT4839 Organism Staphylococcus intermedius Staphylococcus intermedius MIC > 188000 nM DrugMatrix in vitro pharmacology data
NPT4845 Organism Listeria innocua Listeria innocua MIC > 188000 nM 24472146
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 50000 nM 9213587
NPT171 Cell Line MRC5 Homo sapiens GI = 34 % 15646539
NPT393 Cell Line HCT-116 Homo sapiens GI = 68 % 15646539
NPT3730 Organism Enterococcus durans Enterococcus durans MIC = 50000 nM 11473413
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MIC > 188000 nM 10924166
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 188000 nM 19072548
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 188000 nM 11473413
NPT1863 Organism Staphylococcus saprophyticus Staphylococcus saprophyticus MIC > 188000 nM 22148431
NPT4075 Organism Enterococcus avium Enterococcus avium MIC > 188000 nM 15974580
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 50000 nM DrugMatrix in vivo data: Pathology
NPT3721 Organism Enterococcus hirae Enterococcus hirae MIC > 188000 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 NPC311070 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
0.939 High Similarity NPC472810
0.939 High Similarity NPC472809
0.9383 High Similarity NPC131813
0.925 High Similarity NPC42476
0.9167 High Similarity NPC78973
0.9059 High Similarity NPC177037
0.9059 High Similarity NPC472814
0.9048 High Similarity NPC470734
0.9012 High Similarity NPC472377
0.8953 High Similarity NPC472812
0.8941 High Similarity NPC182136
0.8851 High Similarity NPC469697
0.8837 High Similarity NPC472811
0.8824 High Similarity NPC50488
0.8824 High Similarity NPC474396
0.8795 High Similarity NPC86316
0.8795 High Similarity NPC106416
0.8795 High Similarity NPC471795
0.8795 High Similarity NPC473251
0.8795 High Similarity NPC42586
0.875 High Similarity NPC242767
0.8736 High Similarity NPC205034
0.8736 High Similarity NPC115021
0.8736 High Similarity NPC139692
0.8736 High Similarity NPC152778
0.8736 High Similarity NPC162615
0.8736 High Similarity NPC53555
0.8721 High Similarity NPC310479
0.8721 High Similarity NPC221111
0.8721 High Similarity NPC280149
0.8706 High Similarity NPC474629
0.8706 High Similarity NPC472378
0.869 High Similarity NPC329692
0.8652 High Similarity NPC134072
0.8652 High Similarity NPC242848
0.8652 High Similarity NPC234993
0.8652 High Similarity NPC162346
0.8642 High Similarity NPC281880
0.8636 High Similarity NPC298973
0.8636 High Similarity NPC470255
0.8636 High Similarity NPC104925
0.8621 High Similarity NPC72845
0.8621 High Similarity NPC329842
0.8605 High Similarity NPC174342
0.8588 High Similarity NPC312561
0.8588 High Similarity NPC471796
0.8588 High Similarity NPC166857
0.8571 High Similarity NPC30984
0.8571 High Similarity NPC65661
0.8556 High Similarity NPC477718
0.8556 High Similarity NPC477719
0.8556 High Similarity NPC475709
0.8554 High Similarity NPC79945
0.8554 High Similarity NPC474809
0.8539 High Similarity NPC472441
0.8539 High Similarity NPC276110
0.8537 High Similarity NPC170303
0.8537 High Similarity NPC159148
0.8537 High Similarity NPC475944
0.8506 High Similarity NPC477782
0.8506 High Similarity NPC51486
0.85 High Similarity NPC189206
0.85 High Similarity NPC262747
0.8471 Intermediate Similarity NPC471219
0.8462 Intermediate Similarity NPC275086
0.8462 Intermediate Similarity NPC325229
0.8452 Intermediate Similarity NPC96055
0.8444 Intermediate Similarity NPC16967
0.8444 Intermediate Similarity NPC473153
0.8427 Intermediate Similarity NPC105490
0.8427 Intermediate Similarity NPC191521
0.8427 Intermediate Similarity NPC57117
0.8415 Intermediate Similarity NPC10636
0.8409 Intermediate Similarity NPC477783
0.8395 Intermediate Similarity NPC474816
0.8395 Intermediate Similarity NPC209135
0.8391 Intermediate Similarity NPC251528
0.8391 Intermediate Similarity NPC5509
0.8372 Intermediate Similarity NPC473891
0.837 Intermediate Similarity NPC477716
0.837 Intermediate Similarity NPC38855
0.837 Intermediate Similarity NPC477721
0.8353 Intermediate Similarity NPC474013
0.8352 Intermediate Similarity NPC51499
0.8333 Intermediate Similarity NPC476927
0.8315 Intermediate Similarity NPC472640
0.8315 Intermediate Similarity NPC472641
0.8315 Intermediate Similarity NPC7349
0.8295 Intermediate Similarity NPC472642
0.8295 Intermediate Similarity NPC281942
0.8295 Intermediate Similarity NPC232426
0.828 Intermediate Similarity NPC477717
0.8276 Intermediate Similarity NPC93411
0.8261 Intermediate Similarity NPC159763
0.8261 Intermediate Similarity NPC278386
0.8261 Intermediate Similarity NPC278673
0.8261 Intermediate Similarity NPC124512
0.8261 Intermediate Similarity NPC474440
0.8242 Intermediate Similarity NPC165632
0.8235 Intermediate Similarity NPC102048
0.8235 Intermediate Similarity NPC471302
0.8235 Intermediate Similarity NPC306951
0.8235 Intermediate Similarity NPC32223
0.8222 Intermediate Similarity NPC324078
0.8214 Intermediate Similarity NPC200513
0.8214 Intermediate Similarity NPC256112
0.8214 Intermediate Similarity NPC155521
0.8214 Intermediate Similarity NPC471218
0.8214 Intermediate Similarity NPC471298
0.8214 Intermediate Similarity NPC2524
0.8202 Intermediate Similarity NPC141831
0.8202 Intermediate Similarity NPC477122
0.8191 Intermediate Similarity NPC475038
0.8191 Intermediate Similarity NPC109195
0.8191 Intermediate Similarity NPC472815
0.8182 Intermediate Similarity NPC79027
0.8172 Intermediate Similarity NPC16601
0.8172 Intermediate Similarity NPC324841
0.8171 Intermediate Similarity NPC184737
0.8152 Intermediate Similarity NPC231751
0.8152 Intermediate Similarity NPC73911
0.8152 Intermediate Similarity NPC474343
0.8132 Intermediate Similarity NPC209355
0.8118 Intermediate Similarity NPC321385
0.8118 Intermediate Similarity NPC474193
0.8118 Intermediate Similarity NPC471297
0.8118 Intermediate Similarity NPC477124
0.8118 Intermediate Similarity NPC23748
0.8118 Intermediate Similarity NPC12283
0.8111 Intermediate Similarity NPC472303
0.8105 Intermediate Similarity NPC471938
0.8095 Intermediate Similarity NPC40228
0.8095 Intermediate Similarity NPC229584
0.8095 Intermediate Similarity NPC14203
0.8085 Intermediate Similarity NPC303559
0.8085 Intermediate Similarity NPC11974
0.8072 Intermediate Similarity NPC80471
0.8072 Intermediate Similarity NPC5908
0.8072 Intermediate Similarity NPC100906
0.8072 Intermediate Similarity NPC110373
0.8068 Intermediate Similarity NPC104560
0.8068 Intermediate Similarity NPC291665
0.8049 Intermediate Similarity NPC132542
0.8049 Intermediate Similarity NPC283619
0.8046 Intermediate Similarity NPC475069
0.8046 Intermediate Similarity NPC175145
0.8023 Intermediate Similarity NPC474693
0.8023 Intermediate Similarity NPC318515
0.8023 Intermediate Similarity NPC126518
0.8023 Intermediate Similarity NPC471301
0.8022 Intermediate Similarity NPC201725
0.8022 Intermediate Similarity NPC474554
0.8021 Intermediate Similarity NPC471937
0.8 Intermediate Similarity NPC476081
0.8 Intermediate Similarity NPC78594
0.8 Intermediate Similarity NPC323251
0.8 Intermediate Similarity NPC471914
0.8 Intermediate Similarity NPC234335
0.8 Intermediate Similarity NPC289479
0.7979 Intermediate Similarity NPC117685
0.7979 Intermediate Similarity NPC472826
0.7979 Intermediate Similarity NPC476767
0.7979 Intermediate Similarity NPC201406
0.7979 Intermediate Similarity NPC251680
0.7979 Intermediate Similarity NPC474012
0.7979 Intermediate Similarity NPC476299
0.7978 Intermediate Similarity NPC262858
0.7978 Intermediate Similarity NPC82876
0.7978 Intermediate Similarity NPC146554
0.7978 Intermediate Similarity NPC472240
0.7978 Intermediate Similarity NPC473647
0.7976 Intermediate Similarity NPC469802
0.7976 Intermediate Similarity NPC268827
0.7957 Intermediate Similarity NPC208094
0.7957 Intermediate Similarity NPC253826
0.7957 Intermediate Similarity NPC205143
0.7957 Intermediate Similarity NPC53844
0.7952 Intermediate Similarity NPC239098
0.7938 Intermediate Similarity NPC472818
0.7935 Intermediate Similarity NPC471915
0.7935 Intermediate Similarity NPC111273
0.7931 Intermediate Similarity NPC476602
0.7931 Intermediate Similarity NPC472442
0.7931 Intermediate Similarity NPC163606
0.7931 Intermediate Similarity NPC35933
0.7931 Intermediate Similarity NPC475860
0.7931 Intermediate Similarity NPC473659
0.7931 Intermediate Similarity NPC109528
0.7931 Intermediate Similarity NPC329630
0.7931 Intermediate Similarity NPC52628
0.7931 Intermediate Similarity NPC189311
0.7931 Intermediate Similarity NPC474694
0.7917 Intermediate Similarity NPC187302
0.7917 Intermediate Similarity NPC97487
0.7917 Intermediate Similarity NPC120321
0.7917 Intermediate Similarity NPC112009
0.7917 Intermediate Similarity NPC10232
0.7917 Intermediate Similarity NPC196471
0.7917 Intermediate Similarity NPC45897
0.7917 Intermediate Similarity NPC189588

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC311070 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
0.8261 Intermediate Similarity NPD4225 Approved
0.8214 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.8023 Intermediate Similarity NPD6400 Clinical (unspecified phase)
0.7979 Intermediate Similarity NPD7640 Approved
0.7979 Intermediate Similarity NPD7639 Approved
0.7872 Intermediate Similarity NPD7638 Approved
0.76 Intermediate Similarity NPD6686 Approved
0.7419 Intermediate Similarity NPD7637 Suspended
0.7391 Intermediate Similarity NPD6051 Approved
0.7303 Intermediate Similarity NPD6695 Phase 3
0.7273 Intermediate Similarity NPD7632 Discontinued
0.7253 Intermediate Similarity NPD6409 Approved
0.7253 Intermediate Similarity NPD5330 Approved
0.7253 Intermediate Similarity NPD6684 Approved
0.7253 Intermediate Similarity NPD7146 Approved
0.7253 Intermediate Similarity NPD7334 Approved
0.7253 Intermediate Similarity NPD7521 Approved
0.7241 Intermediate Similarity NPD6929 Approved
0.7222 Intermediate Similarity NPD3133 Approved
0.7222 Intermediate Similarity NPD3665 Phase 1
0.7222 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD3666 Approved
0.7216 Intermediate Similarity NPD6083 Phase 2
0.7216 Intermediate Similarity NPD6084 Phase 2
0.7159 Intermediate Similarity NPD6931 Approved
0.7159 Intermediate Similarity NPD6930 Phase 2
0.7143 Intermediate Similarity NPD1694 Approved
0.7125 Intermediate Similarity NPD2685 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD6903 Approved
0.7093 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7748 Approved
0.7065 Intermediate Similarity NPD3618 Phase 1
0.7059 Intermediate Similarity NPD6924 Approved
0.7059 Intermediate Similarity NPD6926 Approved
0.7053 Intermediate Similarity NPD7515 Phase 2
0.7045 Intermediate Similarity NPD7645 Phase 2
0.7037 Intermediate Similarity NPD7115 Discovery
0.7019 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD6925 Approved
0.7011 Intermediate Similarity NPD5776 Phase 2
0.701 Intermediate Similarity NPD5695 Phase 3
0.7 Intermediate Similarity NPD3667 Approved
0.7 Intermediate Similarity NPD5344 Discontinued
0.6989 Remote Similarity NPD7750 Discontinued
0.6989 Remote Similarity NPD7524 Approved
0.6979 Remote Similarity NPD6399 Phase 3
0.6977 Remote Similarity NPD7339 Approved
0.6977 Remote Similarity NPD6942 Approved
0.6972 Remote Similarity NPD7328 Approved
0.6972 Remote Similarity NPD7327 Approved
0.697 Remote Similarity NPD5696 Approved
0.6966 Remote Similarity NPD7514 Phase 3
0.6966 Remote Similarity NPD7332 Phase 2
0.6947 Remote Similarity NPD5785 Approved
0.6932 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6932 Remote Similarity NPD7145 Approved
0.6915 Remote Similarity NPD5737 Approved
0.6915 Remote Similarity NPD6672 Approved
0.6909 Remote Similarity NPD7516 Approved
0.6897 Remote Similarity NPD6933 Approved
0.6893 Remote Similarity NPD7128 Approved
0.6893 Remote Similarity NPD5739 Approved
0.6893 Remote Similarity NPD6675 Approved
0.6893 Remote Similarity NPD6402 Approved
0.6889 Remote Similarity NPD6902 Approved
0.6882 Remote Similarity NPD5279 Phase 3
0.6882 Remote Similarity NPD4623 Approved
0.6882 Remote Similarity NPD4519 Discontinued
0.6875 Remote Similarity NPD5693 Phase 1
0.6869 Remote Similarity NPD7902 Approved
0.6854 Remote Similarity NPD4195 Approved
0.6848 Remote Similarity NPD4786 Approved
0.6847 Remote Similarity NPD8294 Approved
0.6847 Remote Similarity NPD8377 Approved
0.6842 Remote Similarity NPD4753 Phase 2
0.6842 Remote Similarity NPD5328 Approved
0.6837 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6827 Remote Similarity NPD5701 Approved
0.6827 Remote Similarity NPD5697 Approved
0.6809 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6804 Remote Similarity NPD5778 Approved
0.6804 Remote Similarity NPD5779 Approved
0.6792 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6786 Remote Similarity NPD8380 Approved
0.6786 Remote Similarity NPD8296 Approved
0.6786 Remote Similarity NPD8379 Approved
0.6786 Remote Similarity NPD8378 Approved
0.6786 Remote Similarity NPD8335 Approved
0.6786 Remote Similarity NPD6923 Approved
0.6786 Remote Similarity NPD8033 Approved
0.6786 Remote Similarity NPD6922 Approved
0.6782 Remote Similarity NPD8264 Approved
0.6778 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6778 Remote Similarity NPD7525 Registered
0.6774 Remote Similarity NPD6893 Approved
0.6774 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6771 Remote Similarity NPD6698 Approved
0.6771 Remote Similarity NPD7838 Discovery
0.6771 Remote Similarity NPD46 Approved
0.6762 Remote Similarity NPD7320 Approved
0.6762 Remote Similarity NPD6881 Approved
0.6762 Remote Similarity NPD6899 Approved
0.6742 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6739 Remote Similarity NPD7154 Phase 3
0.6733 Remote Similarity NPD6648 Approved
0.6706 Remote Similarity NPD7144 Approved
0.6706 Remote Similarity NPD7143 Approved
0.6703 Remote Similarity NPD6898 Phase 1
0.6701 Remote Similarity NPD7087 Discontinued
0.6701 Remote Similarity NPD6411 Approved
0.6701 Remote Similarity NPD6079 Approved
0.6698 Remote Similarity NPD6013 Approved
0.6698 Remote Similarity NPD6014 Approved
0.6698 Remote Similarity NPD6373 Approved
0.6698 Remote Similarity NPD6372 Approved
0.6698 Remote Similarity NPD6012 Approved
0.6637 Remote Similarity NPD7503 Approved
0.6636 Remote Similarity NPD6883 Approved
0.6636 Remote Similarity NPD7102 Approved
0.6636 Remote Similarity NPD7290 Approved
0.6633 Remote Similarity NPD4202 Approved
0.663 Remote Similarity NPD5209 Approved
0.663 Remote Similarity NPD4223 Phase 3
0.663 Remote Similarity NPD4221 Approved
0.6629 Remote Similarity NPD6932 Approved
0.6628 Remote Similarity NPD7152 Approved
0.6628 Remote Similarity NPD7151 Approved
0.6628 Remote Similarity NPD7150 Approved
0.6604 Remote Similarity NPD6011 Approved
0.6602 Remote Similarity NPD5211 Phase 2
0.6596 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6593 Remote Similarity NPD7509 Discontinued
0.6593 Remote Similarity NPD4822 Approved
0.6593 Remote Similarity NPD4819 Approved
0.6593 Remote Similarity NPD4821 Approved
0.6593 Remote Similarity NPD4695 Discontinued
0.6593 Remote Similarity NPD4820 Approved
0.6591 Remote Similarity NPD8039 Approved
0.6585 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6574 Remote Similarity NPD6869 Approved
0.6574 Remote Similarity NPD6847 Approved
0.6574 Remote Similarity NPD6649 Approved
0.6574 Remote Similarity NPD8130 Phase 1
0.6574 Remote Similarity NPD6650 Approved
0.6574 Remote Similarity NPD6617 Approved
0.6566 Remote Similarity NPD7900 Approved
0.6566 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6562 Remote Similarity NPD5208 Approved
0.6559 Remote Similarity NPD5362 Discontinued
0.6556 Remote Similarity NPD4271 Approved
0.6556 Remote Similarity NPD4268 Approved
0.6552 Remote Similarity NPD7507 Approved
0.6543 Remote Similarity NPD4192 Approved
0.6543 Remote Similarity NPD4191 Approved
0.6543 Remote Similarity NPD4193 Approved
0.6543 Remote Similarity NPD4194 Approved
0.6535 Remote Similarity NPD4755 Approved
0.6514 Remote Similarity NPD6882 Approved
0.6514 Remote Similarity NPD6053 Discontinued
0.6514 Remote Similarity NPD8297 Approved
0.6509 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6509 Remote Similarity NPD6412 Phase 2
0.65 Remote Similarity NPD5210 Approved
0.65 Remote Similarity NPD4629 Approved
0.6495 Remote Similarity NPD6101 Approved
0.6495 Remote Similarity NPD6080 Approved
0.6495 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6495 Remote Similarity NPD6673 Approved
0.6495 Remote Similarity NPD6904 Approved
0.6489 Remote Similarity NPD4197 Approved
0.6484 Remote Similarity NPD6683 Phase 2
0.6481 Remote Similarity NPD6371 Approved
0.6476 Remote Similarity NPD5141 Approved
0.6471 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6458 Remote Similarity NPD3573 Approved
0.6437 Remote Similarity NPD4243 Approved
0.6436 Remote Similarity NPD5222 Approved
0.6436 Remote Similarity NPD5221 Approved
0.6436 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6436 Remote Similarity NPD4697 Phase 3
0.6436 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6422 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6421 Remote Similarity NPD5329 Approved
0.6421 Remote Similarity NPD5363 Approved
0.6408 Remote Similarity NPD5286 Approved
0.6408 Remote Similarity NPD4700 Approved
0.6408 Remote Similarity NPD4696 Approved
0.6408 Remote Similarity NPD5285 Approved
0.6387 Remote Similarity NPD7319 Approved
0.6383 Remote Similarity NPD5331 Approved
0.6383 Remote Similarity NPD5332 Approved
0.6374 Remote Similarity NPD3617 Approved
0.6373 Remote Similarity NPD5173 Approved
0.6364 Remote Similarity NPD8034 Phase 2
0.6364 Remote Similarity NPD8035 Phase 2
0.6364 Remote Similarity NPD5284 Approved
0.6364 Remote Similarity NPD5281 Approved
0.6354 Remote Similarity NPD4689 Approved
0.6354 Remote Similarity NPD4693 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3586268
ZINC  

Physicochemical Properties

Molecular Weight:  318.22
ALogP:  1.4222
MLogP:  3.33
XLogP:  5.571
# Rotatable Bonds:  7
Polar Surface Area:  46.53
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  23

Download Data

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