Natural Product: NPC54537

Natural Product ID:  NPC54537
Common Name:   Epiisopiloturine
IUPAC Name:   (3S,4R)-3-[(S)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one
Synonyms:  
Molecular Formula:   C16H18N2O3
Standard InCHIKey:  OLLOSKHCXIYWIO-AEGPPILISA-N
Standard InCHI:  InChI=1S/C16H18N2O3/c1-18-8-13(17-10-18)7-12-9-21-16(20)14(12)15(19)11-5-3-2-4-6-11/h2-6,8,10,12,14-15,19H,7,9H2,1H3/t12-,14-,15+/m0/s1
Canonical SMILES:  O=C1OC[C@@H]([C@H]1[C@@H](c1ccccc1)O)Cc1ncn(c1)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
NPO16891 Pilocarpus microphyllus Species Rutaceae Eukaryota PMID[23734744]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Inhibition = 58.18 % 17170117
NPT32 Organism Mus musculus Mus musculus Inhibition = 89.21 % 19926364
NPT32 Organism Mus musculus Mus musculus Inhibition = 66.4 % Open TG-GATES in vivo data: Biochemistry
NPT32 Organism Mus musculus Mus musculus Inhibition = 55.2 % Open TG-GATES in vivo data: Biochemistry
NPT32 Organism Mus musculus Mus musculus Activity = 3.8 U Open TG-GATES in vivo data: Biochemistry
NPT32 Organism Mus musculus Mus musculus Inhibition = 73.8 % Open TG-GATES in vivo data: Biochemistry
NPT32 Organism Mus musculus Mus musculus Inhibition = 48 % PubChem BioAssay data set
NPT32 Organism Mus musculus Mus musculus Inhibition = 73 % 14738391
NPT32 Organism Mus musculus Mus musculus Inhibition = 54.08 % 15056914
NPT32 Organism Mus musculus Mus musculus Inhibition = 46.66 % 3543366
NPT32 Organism Mus musculus Mus musculus Inhibition = 76.92 % 3543366
NPT32 Organism Mus musculus Mus musculus Inhibition = 49.7 % 3543366
NPT32 Organism Mus musculus Mus musculus Inhibition = 67.6 % 3543366
NPT32 Organism Mus musculus Mus musculus Inhibition = 36 % 19332671
NPT32 Organism Mus musculus Mus musculus Inhibition = 79.5 % DrugMatrix in vivo data: Hematology
NPT32 Organism Mus musculus Mus musculus Inhibition = 71.3 % DrugMatrix in vivo data: Hematology
NPT32 Organism Mus musculus Mus musculus Inhibition = 46.8 % DrugMatrix in vivo data: Hematology
NPT32 Organism Mus musculus Mus musculus Inhibition = 85 % DrugMatrix in vivo data: Hematology
NPT32 Organism Mus musculus Mus musculus Inhibition = 70 % DrugMatrix in vivo data: Hematology
NPT32 Organism Mus musculus Mus musculus Inhibition = 55 % DrugMatrix in vivo data: Hematology
NPT32 Organism Mus musculus Mus musculus Inhibition = 65 % DrugMatrix in vivo data: Hematology

  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 NPC54537 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
0.7371 Intermediate Similarity NPC238945
0.733 Intermediate Similarity NPC328924
0.7306 Intermediate Similarity NPC323244
0.7286 Intermediate Similarity NPC527
0.7286 Intermediate Similarity NPC144474
0.7286 Intermediate Similarity NPC133782
0.7149 Intermediate Similarity NPC171393
0.7149 Intermediate Similarity NPC295452
0.7136 Intermediate Similarity NPC242923
0.71 Intermediate Similarity NPC101676
0.7051 Intermediate Similarity NPC12100
0.6991 Remote Similarity NPC54744
0.6919 Remote Similarity NPC57398
0.6916 Remote Similarity NPC220852
0.6909 Remote Similarity NPC308906
0.689 Remote Similarity NPC102008
0.6872 Remote Similarity NPC89987
0.6847 Remote Similarity NPC17305
0.6835 Remote Similarity NPC282247
0.6827 Remote Similarity NPC280638
0.6826 Remote Similarity NPC285343
0.6798 Remote Similarity NPC472119
0.6794 Remote Similarity NPC300139
0.6794 Remote Similarity NPC233431
0.6758 Remote Similarity NPC229348
0.6711 Remote Similarity NPC64216
0.6699 Remote Similarity NPC472323
0.6698 Remote Similarity NPC314648
0.6698 Remote Similarity NPC473376
0.6694 Remote Similarity NPC74619
0.6684 Remote Similarity NPC282531
0.6682 Remote Similarity NPC313804
0.6682 Remote Similarity NPC315804
0.6681 Remote Similarity NPC125597
0.6681 Remote Similarity NPC477805
0.6681 Remote Similarity NPC477795
0.6681 Remote Similarity NPC477796
0.6681 Remote Similarity NPC477806
0.6667 Remote Similarity NPC238457
0.6667 Remote Similarity NPC314882
0.6651 Remote Similarity NPC149708
0.665 Remote Similarity NPC315555
0.6638 Remote Similarity NPC69843
0.6634 Remote Similarity NPC207851
0.6626 Remote Similarity NPC478006
0.6622 Remote Similarity NPC473317
0.6609 Remote Similarity NPC28945
0.6607 Remote Similarity NPC250178
0.6592 Remote Similarity NPC472285
0.6591 Remote Similarity NPC320968
0.6591 Remote Similarity NPC54981
0.6587 Remote Similarity NPC175474
0.6587 Remote Similarity NPC75544
0.6577 Remote Similarity NPC478157
0.6575 Remote Similarity NPC478158
0.6575 Remote Similarity NPC469743
0.6573 Remote Similarity NPC474916
0.657 Remote Similarity NPC62749
0.6569 Remote Similarity NPC15840
0.6561 Remote Similarity NPC472098
0.656 Remote Similarity NPC315545
0.656 Remote Similarity NPC314297
0.655 Remote Similarity NPC107160
0.6549 Remote Similarity NPC2395
0.654 Remote Similarity NPC192306
0.6537 Remote Similarity NPC160666
0.6537 Remote Similarity NPC477633
0.6537 Remote Similarity NPC71037
0.6535 Remote Similarity NPC235885
0.6533 Remote Similarity NPC136924
0.6532 Remote Similarity NPC315467
0.6524 Remote Similarity NPC472097
0.6522 Remote Similarity NPC79062
0.6522 Remote Similarity NPC472107
0.6522 Remote Similarity NPC62510
0.652 Remote Similarity NPC46970
0.6514 Remote Similarity NPC315638
0.6514 Remote Similarity NPC314855
0.6514 Remote Similarity NPC313345
0.6514 Remote Similarity NPC313796
0.6512 Remote Similarity NPC79129
0.6512 Remote Similarity NPC81654
0.6512 Remote Similarity NPC195461
0.6512 Remote Similarity NPC249150
0.6512 Remote Similarity NPC313985
0.6512 Remote Similarity NPC49196
0.6507 Remote Similarity NPC319232
0.6507 Remote Similarity NPC24370
0.6492 Remote Similarity NPC314056
0.6486 Remote Similarity NPC118940
0.6484 Remote Similarity NPC53344
0.6484 Remote Similarity NPC88008
0.6482 Remote Similarity NPC477634
0.6478 Remote Similarity NPC244536
0.6476 Remote Similarity NPC60621
0.6473 Remote Similarity NPC285923
0.6471 Remote Similarity NPC111275
0.6471 Remote Similarity NPC314834
0.6471 Remote Similarity NPC64436
0.6465 Remote Similarity NPC123395
0.6463 Remote Similarity NPC35761
0.6457 Remote Similarity NPC234078
0.6457 Remote Similarity NPC221100
0.6455 Remote Similarity NPC71238
0.6452 Remote Similarity NPC476874
0.645 Remote Similarity NPC237978
0.645 Remote Similarity NPC156003
0.644 Remote Similarity NPC478010
0.644 Remote Similarity NPC478009
0.6439 Remote Similarity NPC248462
0.6435 Remote Similarity NPC214428
0.6435 Remote Similarity NPC213308
0.6429 Remote Similarity NPC39092
0.6429 Remote Similarity NPC472289
0.6425 Remote Similarity NPC469358
0.6422 Remote Similarity NPC477175
0.6422 Remote Similarity NPC470729
0.6422 Remote Similarity NPC470730
0.6422 Remote Similarity NPC477176
0.6419 Remote Similarity NPC50503
0.6419 Remote Similarity NPC52557
0.6419 Remote Similarity NPC229893
0.6416 Remote Similarity NPC281049
0.6414 Remote Similarity NPC478013
0.6413 Remote Similarity NPC87856
0.6413 Remote Similarity NPC151976
0.6413 Remote Similarity NPC292517
0.6411 Remote Similarity NPC235684
0.64 Remote Similarity NPC132211
0.64 Remote Similarity NPC204491
0.64 Remote Similarity NPC203614
0.6396 Remote Similarity NPC113369
0.6395 Remote Similarity NPC475859
0.6395 Remote Similarity NPC477177
0.6395 Remote Similarity NPC474877
0.6395 Remote Similarity NPC475969
0.6391 Remote Similarity NPC473850
0.6384 Remote Similarity NPC267965
0.6383 Remote Similarity NPC263937
0.6383 Remote Similarity NPC94428
0.6379 Remote Similarity NPC33949
0.6379 Remote Similarity NPC475362
0.6378 Remote Similarity NPC321939
0.6377 Remote Similarity NPC113626
0.6376 Remote Similarity NPC155143
0.6372 Remote Similarity NPC312645
0.6372 Remote Similarity NPC156704
0.6368 Remote Similarity NPC165743
0.6364 Remote Similarity NPC188387
0.6364 Remote Similarity NPC163421
0.6364 Remote Similarity NPC473506
0.6364 Remote Similarity NPC277350
0.6359 Remote Similarity NPC45459
0.6359 Remote Similarity NPC315491
0.6356 Remote Similarity NPC474412
0.6355 Remote Similarity NPC202812
0.6352 Remote Similarity NPC116622
0.6348 Remote Similarity NPC57797
0.6348 Remote Similarity NPC250807
0.6347 Remote Similarity NPC165599
0.6347 Remote Similarity NPC98715
0.6345 Remote Similarity NPC253482
0.6344 Remote Similarity NPC467439
0.6344 Remote Similarity NPC314270
0.6343 Remote Similarity NPC67288
0.6341 Remote Similarity NPC267885
0.634 Remote Similarity NPC63279
0.634 Remote Similarity NPC237702
0.634 Remote Similarity NPC323752
0.6339 Remote Similarity NPC471603
0.6338 Remote Similarity NPC313504
0.6338 Remote Similarity NPC55493
0.6337 Remote Similarity NPC78020
0.6336 Remote Similarity NPC228377
0.6336 Remote Similarity NPC328186
0.6336 Remote Similarity NPC146824
0.6336 Remote Similarity NPC477787
0.6336 Remote Similarity NPC122968
0.6335 Remote Similarity NPC316403
0.633 Remote Similarity NPC475506
0.6327 Remote Similarity NPC30570
0.6326 Remote Similarity NPC245916
0.6325 Remote Similarity NPC292416
0.6325 Remote Similarity NPC21461
0.6325 Remote Similarity NPC473689
0.6321 Remote Similarity NPC83111
0.632 Remote Similarity NPC475498
0.632 Remote Similarity NPC474196
0.632 Remote Similarity NPC475137
0.6316 Remote Similarity NPC63109
0.6314 Remote Similarity NPC478011
0.6314 Remote Similarity NPC478012
0.6314 Remote Similarity NPC297642
0.6313 Remote Similarity NPC124276
0.6313 Remote Similarity NPC241024
0.6309 Remote Similarity NPC470486
0.6309 Remote Similarity NPC475644
0.6309 Remote Similarity NPC471977
0.6309 Remote Similarity NPC471190
0.6306 Remote Similarity NPC258062

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC54537 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
0.7565 Intermediate Similarity NPD1641 Discontinued
0.7565 Intermediate Similarity NPD1233 Suspended
0.7536 Intermediate Similarity NPD8271 Discontinued
0.75 Intermediate Similarity NPD7465 Suspended
0.7438 Intermediate Similarity NPD5665 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD8641 Approved
0.7374 Intermediate Similarity NPD3002 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD2812 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD2813 Phase 3
0.736 Intermediate Similarity NPD566 Approved
0.736 Intermediate Similarity NPD568 Approved
0.736 Intermediate Similarity NPD567 Approved
0.7306 Intermediate Similarity NPD8292 Phase 2
0.7269 Intermediate Similarity NPD5827 Discontinued
0.7252 Intermediate Similarity NPD8119 Discontinued
0.7251 Intermediate Similarity NPD5072 Discontinued
0.7217 Intermediate Similarity NPD6763 Discontinued
0.7209 Intermediate Similarity NPD5524 Approved
0.7209 Intermediate Similarity NPD5523 Approved
0.7178 Intermediate Similarity NPD459 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD7103 Approved
0.7173 Intermediate Similarity NPD2786 Discontinued
0.7143 Intermediate Similarity NPD8105 Discontinued
0.713 Intermediate Similarity NPD7471 Discontinued
0.7115 Intermediate Similarity NPD8629 Discontinued
0.7077 Intermediate Similarity NPD1037 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD4612 Discontinued
0.707 Intermediate Similarity NPD7557 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD4555 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD994 Phase 2
0.7059 Intermediate Similarity NPD996 Phase 2
0.7051 Intermediate Similarity NPD7980 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD3906 Approved
0.7014 Intermediate Similarity NPD4070 Clinical (unspecified phase)
0.6995 Remote Similarity NPD2152 Clinical (unspecified phase)
0.6983 Remote Similarity NPD8375 Approved
0.6931 Remote Similarity NPD1308 Approved
0.6923 Remote Similarity NPD8371 Clinical (unspecified phase)
0.6919 Remote Similarity NPD3497 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6619 Phase 3
0.6893 Remote Similarity NPD4950 Approved
0.6892 Remote Similarity NPD6718 Discontinued
0.689 Remote Similarity NPD7777 Approved
0.689 Remote Similarity NPD7778 Approved
0.689 Remote Similarity NPD53 Approved
0.6884 Remote Similarity NPD1272 Clinical (unspecified phase)
0.6854 Remote Similarity NPD5425 Phase 1
0.6852 Remote Similarity NPD8261 Discontinued
0.6844 Remote Similarity NPD6164 Phase 2
0.6844 Remote Similarity NPD6165 Phase 2
0.6838 Remote Similarity NPD8291 Clinical (unspecified phase)
0.6822 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6822 Remote Similarity NPD7001 Phase 3
0.68 Remote Similarity NPD5887 Clinical (unspecified phase)
0.6791 Remote Similarity NPD8410 Clinical (unspecified phase)
0.6791 Remote Similarity NPD7834 Approved
0.6761 Remote Similarity NPD2881 Approved
0.6761 Remote Similarity NPD5721 Clinical (unspecified phase)
0.6761 Remote Similarity NPD2879 Approved
0.6759 Remote Similarity NPD7981 Discontinued
0.6758 Remote Similarity NPD2847 Phase 2
0.6757 Remote Similarity NPD7168 Phase 3
0.6742 Remote Similarity NPD6218 Discontinued
0.6739 Remote Similarity NPD6142 Phase 3
0.6734 Remote Similarity NPD966 Clinical (unspecified phase)
0.673 Remote Similarity NPD722 Clinical (unspecified phase)
0.6726 Remote Similarity NPD8075 Discontinued
0.6726 Remote Similarity NPD6856 Discontinued
0.6713 Remote Similarity NPD1197 Approved
0.6712 Remote Similarity NPD7182 Clinical (unspecified phase)
0.6711 Remote Similarity NPD6708 Discontinued
0.6698 Remote Similarity NPD1915 Phase 1
0.6697 Remote Similarity NPD4990 Clinical (unspecified phase)
0.6696 Remote Similarity NPD7415 Suspended
0.6696 Remote Similarity NPD7161 Clinical (unspecified phase)
0.6695 Remote Similarity NPD6992 Phase 2
0.6695 Remote Similarity NPD7486 Phase 1
0.6683 Remote Similarity NPD2993 Clinical (unspecified phase)
0.6682 Remote Similarity NPD4341 Clinical (unspecified phase)
0.668 Remote Similarity NPD8373 Clinical (unspecified phase)
0.6667 Remote Similarity NPD978 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7767 Approved
0.6667 Remote Similarity NPD962 Phase 3
0.6667 Remote Similarity NPD8113 Phase 2
0.6667 Remote Similarity NPD7323 Phase 2
0.6667 Remote Similarity NPD949 Phase 1
0.6652 Remote Similarity NPD3960 Clinical (unspecified phase)
0.6652 Remote Similarity NPD4938 Phase 2
0.6651 Remote Similarity NPD6545 Clinical (unspecified phase)
0.6638 Remote Similarity NPD7857 Phase 3
0.6638 Remote Similarity NPD7860 Clinical (unspecified phase)
0.6638 Remote Similarity NPD5821 Approved
0.6638 Remote Similarity NPD7856 Phase 2
0.6636 Remote Similarity NPD3839 Phase 2
0.6636 Remote Similarity NPD3840 Phase 2
0.6636 Remote Similarity NPD3905 Phase 3
0.6635 Remote Similarity NPD7818 Clinical (unspecified phase)
0.6634 Remote Similarity NPD5107 Clinical (unspecified phase)
0.663 Remote Similarity NPD875 Clinical (unspecified phase)
0.6622 Remote Similarity NPD6381 Phase 2
0.6622 Remote Similarity NPD4414 Discontinued
0.662 Remote Similarity NPD6999 Discontinued
0.662 Remote Similarity NPD7000 Clinical (unspecified phase)
0.662 Remote Similarity NPD2965 Clinical (unspecified phase)
0.662 Remote Similarity NPD6661 Clinical (unspecified phase)
0.6618 Remote Similarity NPD2526 Phase 2
0.6618 Remote Similarity NPD2523 Phase 2
0.6601 Remote Similarity NPD3432 Approved
0.6598 Remote Similarity NPD7923 Phase 2
0.6595 Remote Similarity NPD6970 Phase 2
0.6594 Remote Similarity NPD1571 Phase 2
0.6593 Remote Similarity NPD6036 Suspended
0.6591 Remote Similarity NPD7470 Discontinued
0.659 Remote Similarity NPD2008 Discontinued
0.6588 Remote Similarity NPD1912 Approved
0.6567 Remote Similarity NPD750 Phase 2
0.6564 Remote Similarity NPD3284 Phase 3
0.6562 Remote Similarity NPD1029 Clinical (unspecified phase)
0.6562 Remote Similarity NPD1030 Approved
0.6562 Remote Similarity NPD1027 Approved
0.6561 Remote Similarity NPD2902 Phase 2
0.6561 Remote Similarity NPD2903 Clinical (unspecified phase)
0.656 Remote Similarity NPD7689 Approved
0.6557 Remote Similarity NPD7023 Clinical (unspecified phase)
0.655 Remote Similarity NPD7694 Discontinued
0.6542 Remote Similarity NPD7851 Phase 1
0.6542 Remote Similarity NPD7850 Discontinued
0.654 Remote Similarity NPD38 Approved
0.654 Remote Similarity NPD5176 Approved
0.6538 Remote Similarity NPD2009 Clinical (unspecified phase)
0.6537 Remote Similarity NPD963 Discontinued
0.6537 Remote Similarity NPD8004 Discontinued
0.6535 Remote Similarity NPD3043 Approved
0.6535 Remote Similarity NPD3042 Approved
0.6528 Remote Similarity NPD2807 Discontinued
0.6526 Remote Similarity NPD2880 Discontinued
0.6514 Remote Similarity NPD2877 Clinical (unspecified phase)
0.6514 Remote Similarity NPD6403 Clinical (unspecified phase)
0.6514 Remote Similarity NPD2876 Phase 3
0.6512 Remote Similarity NPD4601 Approved
0.6512 Remote Similarity NPD4600 Approved
0.6509 Remote Similarity NPD1572 Phase 2
0.6509 Remote Similarity NPD7944 Discontinued
0.6502 Remote Similarity NPD8442 Discontinued
0.65 Remote Similarity NPD1600 Suspended
0.65 Remote Similarity NPD4896 Clinical (unspecified phase)
0.65 Remote Similarity NPD2844 Phase 3
0.6495 Remote Similarity NPD1303 Phase 1
0.6493 Remote Similarity NPD3406 Suspended
0.6493 Remote Similarity NPD3430 Approved
0.6493 Remote Similarity NPD3431 Approved
0.649 Remote Similarity NPD6721 Phase 1
0.6489 Remote Similarity NPD1623 Approved
0.6488 Remote Similarity NPD2766 Approved
0.6488 Remote Similarity NPD2765 Approved
0.6486 Remote Similarity NPD2411 Approved
0.6485 Remote Similarity NPD6460 Clinical (unspecified phase)
0.6484 Remote Similarity NPD6328 Clinical (unspecified phase)
0.6481 Remote Similarity NPD4080 Discontinued
0.6478 Remote Similarity NPD5461 Discontinued
0.6478 Remote Similarity NPD4086 Phase 1
0.6473 Remote Similarity NPD7112 Discontinued
0.6473 Remote Similarity NPD721 Approved
0.6473 Remote Similarity NPD2412 Clinical (unspecified phase)
0.6471 Remote Similarity NPD2726 Approved
0.6471 Remote Similarity NPD2725 Approved
0.6468 Remote Similarity NPD5901 Discontinued
0.6468 Remote Similarity NPD8409 Suspended
0.6468 Remote Similarity NPD1287 Phase 2
0.6468 Remote Similarity NPD3947 Discontinued
0.6462 Remote Similarity NPD3403 Clinical (unspecified phase)
0.6462 Remote Similarity NPD3405 Phase 3
0.646 Remote Similarity NPD537 Phase 2
0.646 Remote Similarity NPD534 Phase 2
0.6458 Remote Similarity NPD7996 Phase 2
0.6457 Remote Similarity NPD8488 Clinical (unspecified phase)
0.6457 Remote Similarity NPD5679 Clinical (unspecified phase)
0.6456 Remote Similarity NPD2740 Approved
0.6456 Remote Similarity NPD2741 Approved
0.6456 Remote Similarity NPD2742 Approved
0.6455 Remote Similarity NPD7665 Phase 2
0.6455 Remote Similarity NPD2824 Phase 2
0.6455 Remote Similarity NPD7666 Phase 3
0.6452 Remote Similarity NPD5486 Discontinued
0.6447 Remote Similarity NPD5907 Phase 3
0.6444 Remote Similarity NPD3805 Clinical (unspecified phase)
0.6442 Remote Similarity NPD2814 Clinical (unspecified phase)
0.6441 Remote Similarity NPD8013 Clinical (unspecified phase)
0.6438 Remote Similarity NPD4862 Clinical (unspecified phase)
0.6436 Remote Similarity NPD3347 Clinical (unspecified phase)
0.6432 Remote Similarity NPD4427 Phase 2
0.6429 Remote Similarity NPD7234 Approved
0.6429 Remote Similarity NPD6473 Phase 1
0.6429 Remote Similarity NPD7233 Approved
0.6429 Remote Similarity NPD939 Clinical (unspecified phase)
0.6422 Remote Similarity NPD6035 Phase 2
0.6419 Remote Similarity NPD6753 Phase 1
0.6419 Remote Similarity NPD6752 Phase 1
0.6415 Remote Similarity NPD6887 Clinical (unspecified phase)
0.6414 Remote Similarity NPD2511 Approved

Structure

External Identifiers

PubChem CID   155306
ChEMBL   CHEMBL2386328
ZINC  

Physicochemical Properties

Molecular Weight:  286.13
ALogP:  -0.8631
MLogP:  2.67
XLogP:  2.98
# Rotatable Bonds:  6
Polar Surface Area:  64.35
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  21

Download Data

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Structure MOL file  
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Biological Activities  
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