Natural Product: NPC112654

Natural Product ID:  NPC112654
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C17H20O5
Standard InCHIKey:  XFWZBMTTXLUWKW-YIUHCBHRSA-N
Standard InCHI:  InChI=1S/C17H20O5/c1-16-5-4-6-17(2)13(16)11(21-15(17)19)7-9-10(16)8-12(18)22-14(9)20-3/h7-8,11,13-14H,4-6H2,1-3H3/t11-,13-,14+,16-,17+/m1/s1
Canonical SMILES:  CO[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3([C@H]1[C@]2(C)CCC3)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
NPO5234 Myrica nagi Species Myricaceae Eukaryota UNPD*
NPO33130 oidiodendron truncata Species Myxotrichaceae Eukaryota PMID[10514300]
NPO7731 Lactuca serriola Species Asteraceae Eukaryota UNPD*
NPO17090 Epipedobates tricolor Species Dendrobatidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans MIC = 2 ug/ml 12608865
NPT20 Organism Candida albicans Candida albicans MIC = 8 ug/ml 12608865
NPT168 Cell Line P388 Mus musculus GI50 = 4.1 ug/ml 12608865
NPT1081 Cell Line BXPC-3 Homo sapiens GI50 = 0.36 ug/ml 12608865
NPT83 Cell Line MCF7 Homo sapiens GI50 = 0.33 ug/ml 12608865
NPT395 Cell Line SF-268 Homo sapiens GI50 = 0.24 ug/ml 12608865
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 0.24 ug/ml 12608865
NPT575 Cell Line KM-20L2 Homo sapiens GI50 = 0.21 ug/ml 12608865
NPT90 Cell Line DU-145 Homo sapiens GI50 = 0.14 ug/ml 12608865
NPT1234 Organism Chlorella fusca Chlorella fusca IZ = 20 mm 10514300
NPT1231 Organism Microbotryum violaceum Microbotryum violaceum IZ = 30 mm 10514300
NPT1230 Organism Bacillus megaterium Bacillus megaterium IZ = 1 mm 10514300
NPT1865 Organism Hordeum vulgare Hordeum vulgare Inhibition > 40 % 10898656
NPT119 Organism Triticum aestivum Triticum aestivum Inhibition > 40 % 10898656
NPT855 Organism Allium cepa Allium cepa Inhibition > 40 % 10898656
NPT959 Organism Solanum lycopersicum Solanum lycopersicum Inhibition > 40 % 10898656
NPT3130 Organism Lepidium sativum Lepidium sativum Inhibition > 40 % 10898656
NPT3130 Organism Lepidium sativum Lepidium sativum Inhibition = 20 % 10898656
NPT364 Organism Lactuca sativa Lactuca sativa Inhibition > 40 % 10898656
NPT1865 Organism Hordeum vulgare Hordeum vulgare Activity > 40 % 10898656
NPT119 Organism Triticum aestivum Triticum aestivum Activity > 40 % 10898656
NPT855 Organism Allium cepa Allium cepa Activity > 40 % 10898656
NPT959 Organism Solanum lycopersicum Solanum lycopersicum Activity > 40 % 10898656
NPT3130 Organism Lepidium sativum Lepidium sativum Activity > 40 % 10898656
NPT3130 Organism Lepidium sativum Lepidium sativum Activity = 20 % 10898656
NPT364 Organism Lactuca sativa Lactuca sativa Activity > 40 % 10898656

  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 NPC112654 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
0.9438 High Similarity NPC469595
0.9438 High Similarity NPC220454
0.9438 High Similarity NPC212679
0.9121 High Similarity NPC65513
0.9011 High Similarity NPC469372
0.8842 High Similarity NPC257726
0.8842 High Similarity NPC204054
0.8737 High Similarity NPC311166
0.8723 High Similarity NPC477129
0.8723 High Similarity NPC477130
0.8632 High Similarity NPC473369
0.8587 High Similarity NPC226863
0.8587 High Similarity NPC196407
0.8586 High Similarity NPC132395
0.8586 High Similarity NPC471365
0.8586 High Similarity NPC471364
0.8556 High Similarity NPC71626
0.8526 High Similarity NPC88507
0.8485 Intermediate Similarity NPC469606
0.8485 Intermediate Similarity NPC134077
0.8485 Intermediate Similarity NPC31058
0.8485 Intermediate Similarity NPC273005
0.8444 Intermediate Similarity NPC22611
0.8421 Intermediate Similarity NPC475657
0.8421 Intermediate Similarity NPC166346
0.8421 Intermediate Similarity NPC471571
0.8387 Intermediate Similarity NPC477128
0.8387 Intermediate Similarity NPC472302
0.8384 Intermediate Similarity NPC63249
0.8384 Intermediate Similarity NPC473384
0.835 Intermediate Similarity NPC112457
0.8316 Intermediate Similarity NPC141831
0.8315 Intermediate Similarity NPC195424
0.8298 Intermediate Similarity NPC293044
0.8298 Intermediate Similarity NPC284561
0.8283 Intermediate Similarity NPC477720
0.8261 Intermediate Similarity NPC189311
0.8261 Intermediate Similarity NPC472442
0.8242 Intermediate Similarity NPC193198
0.8242 Intermediate Similarity NPC472440
0.8235 Intermediate Similarity NPC469607
0.8211 Intermediate Similarity NPC281942
0.8211 Intermediate Similarity NPC232426
0.82 Intermediate Similarity NPC244456
0.82 Intermediate Similarity NPC469657
0.8191 Intermediate Similarity NPC215831
0.8172 Intermediate Similarity NPC220478
0.8163 Intermediate Similarity NPC319692
0.8163 Intermediate Similarity NPC325960
0.8144 Intermediate Similarity NPC38830
0.8144 Intermediate Similarity NPC298973
0.8144 Intermediate Similarity NPC104925
0.8144 Intermediate Similarity NPC474554
0.8132 Intermediate Similarity NPC178676
0.8132 Intermediate Similarity NPC186276
0.8125 Intermediate Similarity NPC179517
0.8125 Intermediate Similarity NPC49420
0.8125 Intermediate Similarity NPC165904
0.8105 Intermediate Similarity NPC168131
0.8105 Intermediate Similarity NPC173042
0.8105 Intermediate Similarity NPC73995
0.8105 Intermediate Similarity NPC174765
0.81 Intermediate Similarity NPC473204
0.81 Intermediate Similarity NPC473219
0.81 Intermediate Similarity NPC470761
0.8081 Intermediate Similarity NPC472188
0.8065 Intermediate Similarity NPC300985
0.8061 Intermediate Similarity NPC295347
0.8061 Intermediate Similarity NPC33473
0.8061 Intermediate Similarity NPC183012
0.8058 Intermediate Similarity NPC252296
0.8058 Intermediate Similarity NPC127790
0.8041 Intermediate Similarity NPC242069
0.8041 Intermediate Similarity NPC469939
0.8037 Intermediate Similarity NPC157441
0.8022 Intermediate Similarity NPC149237
0.8021 Intermediate Similarity NPC152467
0.8021 Intermediate Similarity NPC477782
0.8 Intermediate Similarity NPC471366
0.8 Intermediate Similarity NPC473154
0.8 Intermediate Similarity NPC318917
0.8 Intermediate Similarity NPC476800
0.8 Intermediate Similarity NPC24816
0.8 Intermediate Similarity NPC472186
0.7981 Intermediate Similarity NPC184512
0.798 Intermediate Similarity NPC17578
0.798 Intermediate Similarity NPC240673
0.7979 Intermediate Similarity NPC118266
0.7961 Intermediate Similarity NPC474898
0.7959 Intermediate Similarity NPC470697
0.7959 Intermediate Similarity NPC469697
0.7944 Intermediate Similarity NPC12046
0.7944 Intermediate Similarity NPC222834
0.7944 Intermediate Similarity NPC194951
0.7941 Intermediate Similarity NPC235369
0.7938 Intermediate Similarity NPC477783
0.7938 Intermediate Similarity NPC190442
0.7935 Intermediate Similarity NPC200513
0.7935 Intermediate Similarity NPC268122
0.7921 Intermediate Similarity NPC472187
0.7921 Intermediate Similarity NPC476299
0.7921 Intermediate Similarity NPC474012
0.7921 Intermediate Similarity NPC473545
0.7917 Intermediate Similarity NPC470734
0.7917 Intermediate Similarity NPC251528
0.7917 Intermediate Similarity NPC474844
0.7917 Intermediate Similarity NPC5509
0.7912 Intermediate Similarity NPC473685
0.79 Intermediate Similarity NPC76266
0.79 Intermediate Similarity NPC110937
0.79 Intermediate Similarity NPC98112
0.79 Intermediate Similarity NPC202705
0.79 Intermediate Similarity NPC476768
0.79 Intermediate Similarity NPC208094
0.79 Intermediate Similarity NPC475709
0.7895 Intermediate Similarity NPC477228
0.7895 Intermediate Similarity NPC312561
0.7889 Intermediate Similarity NPC35574
0.7885 Intermediate Similarity NPC477125
0.7879 Intermediate Similarity NPC471372
0.7879 Intermediate Similarity NPC471362
0.7879 Intermediate Similarity NPC472189
0.7872 Intermediate Similarity NPC177932
0.7872 Intermediate Similarity NPC110405
0.7864 Intermediate Similarity NPC134270
0.7864 Intermediate Similarity NPC254202
0.7857 Intermediate Similarity NPC472303
0.7857 Intermediate Similarity NPC229976
0.7849 Intermediate Similarity NPC469
0.7849 Intermediate Similarity NPC118423
0.7843 Intermediate Similarity NPC310981
0.7843 Intermediate Similarity NPC168319
0.7843 Intermediate Similarity NPC194028
0.7838 Intermediate Similarity NPC158963
0.7838 Intermediate Similarity NPC474179
0.7838 Intermediate Similarity NPC475834
0.7835 Intermediate Similarity NPC469403
0.7835 Intermediate Similarity NPC159748
0.7835 Intermediate Similarity NPC253186
0.7835 Intermediate Similarity NPC101651
0.7835 Intermediate Similarity NPC8062
0.783 Intermediate Similarity NPC137911
0.783 Intermediate Similarity NPC228477
0.7826 Intermediate Similarity NPC475665
0.7822 Intermediate Similarity NPC23364
0.7822 Intermediate Similarity NPC176845
0.7822 Intermediate Similarity NPC474440
0.7822 Intermediate Similarity NPC98868
0.7818 Intermediate Similarity NPC23046
0.781 Intermediate Similarity NPC133422
0.78 Intermediate Similarity NPC94905
0.78 Intermediate Similarity NPC162346
0.78 Intermediate Similarity NPC73858
0.78 Intermediate Similarity NPC171598
0.78 Intermediate Similarity NPC8954
0.7789 Intermediate Similarity NPC474062
0.7789 Intermediate Similarity NPC244174
0.7789 Intermediate Similarity NPC168248
0.7788 Intermediate Similarity NPC264867
0.7788 Intermediate Similarity NPC201880
0.7788 Intermediate Similarity NPC473207
0.7788 Intermediate Similarity NPC81567
0.7788 Intermediate Similarity NPC476763
0.7788 Intermediate Similarity NPC476764
0.7788 Intermediate Similarity NPC470321
0.7788 Intermediate Similarity NPC287236
0.7788 Intermediate Similarity NPC476001
0.7778 Intermediate Similarity NPC474555
0.7778 Intermediate Similarity NPC470255
0.7778 Intermediate Similarity NPC316500
0.7778 Intermediate Similarity NPC56525
0.7778 Intermediate Similarity NPC477722
0.7778 Intermediate Similarity NPC41780
0.7778 Intermediate Similarity NPC187568
0.7778 Intermediate Similarity NPC84893
0.7767 Intermediate Similarity NPC471363
0.7767 Intermediate Similarity NPC238397
0.7766 Intermediate Similarity NPC139566
0.7766 Intermediate Similarity NPC100391
0.7766 Intermediate Similarity NPC30486
0.7757 Intermediate Similarity NPC119550
0.7757 Intermediate Similarity NPC235014
0.7755 Intermediate Similarity NPC303697
0.7755 Intermediate Similarity NPC474631
0.7755 Intermediate Similarity NPC233345
0.7755 Intermediate Similarity NPC186363
0.7755 Intermediate Similarity NPC289479
0.7748 Intermediate Similarity NPC475913
0.7742 Intermediate Similarity NPC471218
0.7736 Intermediate Similarity NPC220155
0.7732 Intermediate Similarity NPC50070
0.7732 Intermediate Similarity NPC177141
0.7732 Intermediate Similarity NPC288699
0.7723 Intermediate Similarity NPC38530
0.7723 Intermediate Similarity NPC10057
0.7723 Intermediate Similarity NPC84335
0.7723 Intermediate Similarity NPC474343
0.7714 Intermediate Similarity NPC476762
0.7714 Intermediate Similarity NPC476761
0.7714 Intermediate Similarity NPC478208

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC112654 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
0.7935 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD1694 Approved
0.7604 Intermediate Similarity NPD6409 Approved
0.7604 Intermediate Similarity NPD5330 Approved
0.7604 Intermediate Similarity NPD6684 Approved
0.7604 Intermediate Similarity NPD7521 Approved
0.7604 Intermediate Similarity NPD7334 Approved
0.7604 Intermediate Similarity NPD7146 Approved
0.757 Intermediate Similarity NPD6686 Approved
0.7475 Intermediate Similarity NPD5207 Approved
0.7449 Intermediate Similarity NPD6903 Approved
0.7449 Intermediate Similarity NPD5737 Approved
0.7449 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7449 Intermediate Similarity NPD6672 Approved
0.74 Intermediate Similarity NPD5693 Phase 1
0.7327 Intermediate Similarity NPD6399 Phase 3
0.73 Intermediate Similarity NPD5692 Phase 3
0.7255 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD7900 Approved
0.7228 Intermediate Similarity NPD5694 Approved
0.7228 Intermediate Similarity NPD6050 Approved
0.7216 Intermediate Similarity NPD6400 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD8039 Approved
0.7143 Intermediate Similarity NPD7638 Approved
0.7143 Intermediate Similarity NPD4225 Approved
0.7087 Intermediate Similarity NPD7748 Approved
0.7075 Intermediate Similarity NPD7639 Approved
0.7075 Intermediate Similarity NPD7640 Approved
0.7064 Intermediate Similarity NPD6008 Approved
0.7059 Intermediate Similarity NPD5284 Approved
0.7059 Intermediate Similarity NPD5281 Approved
0.7048 Intermediate Similarity NPD7902 Approved
0.7043 Intermediate Similarity NPD7115 Discovery
0.703 Intermediate Similarity NPD6673 Approved
0.703 Intermediate Similarity NPD6051 Approved
0.703 Intermediate Similarity NPD6904 Approved
0.703 Intermediate Similarity NPD6080 Approved
0.7019 Intermediate Similarity NPD5695 Phase 3
0.7 Intermediate Similarity NPD6412 Phase 2
0.6981 Remote Similarity NPD5696 Approved
0.6931 Remote Similarity NPD5208 Approved
0.6923 Remote Similarity NPD6001 Approved
0.69 Remote Similarity NPD3618 Phase 1
0.69 Remote Similarity NPD5279 Phase 3
0.6893 Remote Similarity NPD6411 Approved
0.6893 Remote Similarity NPD7515 Phase 2
0.6887 Remote Similarity NPD6083 Phase 2
0.6887 Remote Similarity NPD6084 Phase 2
0.6869 Remote Similarity NPD3665 Phase 1
0.6869 Remote Similarity NPD3133 Approved
0.6869 Remote Similarity NPD3666 Approved
0.6869 Remote Similarity NPD3668 Phase 3
0.6863 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6857 Remote Similarity NPD5654 Approved
0.6847 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6837 Remote Similarity NPD3667 Approved
0.6837 Remote Similarity NPD5209 Approved
0.6832 Remote Similarity NPD3573 Approved
0.6807 Remote Similarity NPD8513 Phase 3
0.6807 Remote Similarity NPD7503 Approved
0.6733 Remote Similarity NPD6098 Approved
0.6729 Remote Similarity NPD5959 Approved
0.6721 Remote Similarity NPD7507 Approved
0.67 Remote Similarity NPD4786 Approved
0.6699 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6699 Remote Similarity NPD6101 Approved
0.6698 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6696 Remote Similarity NPD6053 Discontinued
0.6696 Remote Similarity NPD6882 Approved
0.6667 Remote Similarity NPD8517 Approved
0.6667 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5778 Approved
0.6667 Remote Similarity NPD8515 Approved
0.6667 Remote Similarity NPD5779 Approved
0.6667 Remote Similarity NPD8516 Approved
0.6635 Remote Similarity NPD5785 Approved
0.6633 Remote Similarity NPD4695 Discontinued
0.6607 Remote Similarity NPD6675 Approved
0.6607 Remote Similarity NPD6402 Approved
0.6607 Remote Similarity NPD7128 Approved
0.6607 Remote Similarity NPD5739 Approved
0.6579 Remote Similarity NPD6373 Approved
0.6579 Remote Similarity NPD6372 Approved
0.6579 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6577 Remote Similarity NPD6052 Approved
0.6569 Remote Similarity NPD5280 Approved
0.6569 Remote Similarity NPD4519 Discontinued
0.6569 Remote Similarity NPD4694 Approved
0.6569 Remote Similarity NPD4623 Approved
0.656 Remote Similarity NPD7319 Approved
0.6549 Remote Similarity NPD5701 Approved
0.6549 Remote Similarity NPD5697 Approved
0.6538 Remote Similarity NPD5328 Approved
0.6538 Remote Similarity NPD4753 Phase 2
0.6526 Remote Similarity NPD4058 Approved
0.6526 Remote Similarity NPD5733 Approved
0.6526 Remote Similarity NPD4687 Approved
0.6514 Remote Similarity NPD8029 Clinical (unspecified phase)
0.65 Remote Similarity NPD4221 Approved
0.65 Remote Similarity NPD4223 Phase 3
0.6491 Remote Similarity NPD6899 Approved
0.6491 Remote Similarity NPD6011 Approved
0.6491 Remote Similarity NPD6881 Approved
0.6491 Remote Similarity NPD7320 Approved
0.6489 Remote Similarity NPD5276 Approved
0.6486 Remote Similarity NPD7632 Discontinued
0.6481 Remote Similarity NPD4697 Phase 3
0.6466 Remote Similarity NPD6649 Approved
0.6466 Remote Similarity NPD6650 Approved
0.6466 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6455 Remote Similarity NPD6404 Discontinued
0.6452 Remote Similarity NPD4137 Phase 3
0.6435 Remote Similarity NPD6014 Approved
0.6435 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6435 Remote Similarity NPD6013 Approved
0.6435 Remote Similarity NPD6012 Approved
0.6423 Remote Similarity NPD8328 Phase 3
0.6417 Remote Similarity NPD7327 Approved
0.6417 Remote Similarity NPD7328 Approved
0.6415 Remote Similarity NPD8034 Phase 2
0.6415 Remote Similarity NPD8035 Phase 2
0.6415 Remote Similarity NPD7637 Suspended
0.6415 Remote Similarity NPD6079 Approved
0.6408 Remote Similarity NPD3574 Clinical (unspecified phase)
0.64 Remote Similarity NPD8293 Discontinued
0.6393 Remote Similarity NPD8033 Approved
0.6389 Remote Similarity NPD4629 Approved
0.6389 Remote Similarity NPD5210 Approved
0.6383 Remote Similarity NPD4747 Approved
0.6383 Remote Similarity NPD4691 Approved
0.6381 Remote Similarity NPD1695 Approved
0.6379 Remote Similarity NPD7102 Approved
0.6379 Remote Similarity NPD7290 Approved
0.6379 Remote Similarity NPD6883 Approved
0.6373 Remote Similarity NPD4197 Approved
0.6364 Remote Similarity NPD7516 Approved
0.6357 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6356 Remote Similarity NPD7094 Approved
0.6356 Remote Similarity NPD8133 Approved
0.6356 Remote Similarity NPD6858 Approved
0.6355 Remote Similarity NPD4202 Approved
0.6349 Remote Similarity NPD7736 Approved
0.6341 Remote Similarity NPD6370 Approved
0.6333 Remote Similarity NPD6009 Approved
0.633 Remote Similarity NPD5349 Clinical (unspecified phase)
0.633 Remote Similarity NPD5221 Approved
0.633 Remote Similarity NPD5220 Clinical (unspecified phase)
0.633 Remote Similarity NPD7732 Phase 3
0.633 Remote Similarity NPD5222 Approved
0.6328 Remote Similarity NPD7260 Phase 2
0.6325 Remote Similarity NPD6617 Approved
0.6325 Remote Similarity NPD6869 Approved
0.6325 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6325 Remote Similarity NPD6847 Approved
0.6325 Remote Similarity NPD8130 Phase 1
0.6321 Remote Similarity NPD6698 Approved
0.6321 Remote Similarity NPD46 Approved
0.6311 Remote Similarity NPD8377 Approved
0.6311 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6311 Remote Similarity NPD8294 Approved
0.6311 Remote Similarity NPD5329 Approved
0.629 Remote Similarity NPD6067 Discontinued
0.6273 Remote Similarity NPD5173 Approved
0.6273 Remote Similarity NPD4755 Approved
0.6271 Remote Similarity NPD8297 Approved
0.6264 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6263 Remote Similarity NPD3617 Approved
0.6261 Remote Similarity NPD6614 Approved
0.626 Remote Similarity NPD8380 Approved
0.626 Remote Similarity NPD8379 Approved
0.626 Remote Similarity NPD8378 Approved
0.626 Remote Similarity NPD8335 Approved
0.626 Remote Similarity NPD8296 Approved
0.625 Remote Similarity NPD4138 Approved
0.625 Remote Similarity NPD5205 Approved
0.625 Remote Similarity NPD4689 Approved
0.625 Remote Similarity NPD4688 Approved
0.625 Remote Similarity NPD4690 Approved
0.625 Remote Similarity NPD5690 Phase 2
0.625 Remote Similarity NPD4693 Phase 3
0.624 Remote Similarity NPD7492 Approved
0.6198 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6196 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6195 Remote Similarity NPD5211 Phase 2
0.619 Remote Similarity NPD6616 Approved
0.6186 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6179 Remote Similarity NPD6059 Approved
0.6179 Remote Similarity NPD6054 Approved
0.6168 Remote Similarity NPD4096 Approved
0.6161 Remote Similarity NPD5286 Approved
0.6161 Remote Similarity NPD4700 Approved
0.6161 Remote Similarity NPD4696 Approved
0.6161 Remote Similarity NPD5285 Approved
0.616 Remote Similarity NPD7122 Discontinued
0.6154 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6154 Remote Similarity NPD6845 Suspended
0.6154 Remote Similarity NPD5363 Approved
0.6147 Remote Similarity NPD5282 Discontinued
0.6142 Remote Similarity NPD8074 Phase 3

Structure

External Identifiers

PubChem CID   301929
ChEMBL   CHEMBL480480
ZINC  

Physicochemical Properties

Molecular Weight:  304.13
ALogP:  0.5358
MLogP:  2.78
XLogP:  1.909
# Rotatable Bonds:  4
Polar Surface Area:  61.83
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  22

Download Data

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