Natural Product: NPC66110

Natural Product ID:  NPC66110
Common Name:   Pseudolaric Acid B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C23H28O8
Standard InCHIKey:  VDGOFNMYZYBUDT-YDRCMHEVSA-N
Standard InCHI:  InChI=1S/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22+,23-/m0/s1
Canonical SMILES:  COC(=O)C1=CC[C@@]23[C@@](CC1)(OC(=O)C)[C@@H](CC2)[C@@](OC3=O)(C)/C=C/C=C(/C(=O)O)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
NPO29968 Pseudolarix kaempferi Species Pinaceae Eukaryota bark PMID[17291040]
NPO29968 Pseudolarix kaempferi Species Pinaceae Eukaryota root and trunk bark PMID[18078313]
NPO22700 Dacrydium comosum Species Podocarpaceae Eukaryota UNPD*
NPO21914 Turnera angustifolia Species Passifloraceae Eukaryota UNPD*
NPO22563 Sclerocarya birrea Species Anacardiaceae Eukaryota UNPD*
NPO21090 Chrysanthemum ornatum Species Asteraceae Eukaryota UNPD*
NPO22239 Hibiscus vitifolius Species Malvaceae Eukaryota UNPD*
NPO385 Bipolaris oryzae Species Pleosporaceae Eukaryota UNPD*
NPO22309 Gastrodia elata Species Orchidaceae Eukaryota UNPD*
NPO20328 Plumeria acutifolia Species Apocynaceae Eukaryota UNPD*
NPO5178 Pelophylax nigromaculatus Species Ranidae Eukaryota UNPD*
NPO20772 Pedalium murex Species Pedaliaceae Eukaryota UNPD*
NPO29968 Pseudolarix kaempferi Species Pinaceae Eukaryota TCM_Taiwan*
NPO20262 Delia paludosa Species Anthomyiidae Eukaryota UNPD*
NPO16955 Pseudolarix amabilis Species Pinaceae Eukaryota TCMID*
NPO20140 Aloe perryi Species Xanthorrhoeaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus IC50 = 3700 nM 17253850
NPT81 Cell Line A549 Homo sapiens IC50 = 300 nM 17253850
NPT116 Cell Line HL-60 Homo sapiens IC50 = 590 nM 17291040
NPT168 Cell Line P388 Mus musculus IC50 = 740 nM 17323995
NPT81 Cell Line A549 Homo sapiens IC50 = 300 nM 17323995
NPT116 Cell Line HL-60 Homo sapiens IC50 = 235 nM 18078313
NPT2 Others Unspecified IC50 = 1162 nM 18078313
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 136 nM 18078313
NPT2 Others Unspecified IC50 = 596 nM 18078313
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 704 nM 18078313
NPT165 Cell Line HeLa Homo sapiens IC50 = 497 nM 18078313
NPT2 Others Unspecified Activity = 57.1 % 18078313
NPT2 Others Unspecified Activity = 50 % 18078313
NPT168 Cell Line P388 Mus musculus IC50 = 0.32 ug/ml 15387644
NPT81 Cell Line A549 Homo sapiens IC50 = 0.86 ug/ml 15387644
NPT20 Organism Candida albicans Candida albicans IZ = 7 mm 7760078
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes IZ = 7 mm 7760078
NPT327 Organism Microsporum gypseum Microsporum gypseum IZ = 7 mm 7760078
NPT86 Organism Mycobacterium intracellulare Mycobacterium intracellulare IZ = 1 mm 7760078
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus IZ = 3 mm 7760078
NPT3588 Organism Candida magnoliae Candida magnoliae IZ < 1 mm 7760078
NPT188 Organism Candida parapsilosis Candida parapsilosis IZ = 7 mm 7760078
NPT20 Organism Candida albicans Candida albicans IZ > 12 mm 7760078
NPT186 Organism Candida tropicalis Candida tropicalis IZ = 7 mm 7760078
NPT186 Organism Candida tropicalis Candida tropicalis IZ > 12 mm 7760078
NPT3589 Organism Candida deformans Candida deformans IZ = 7 mm 7760078
NPT2595 Organism Torula Torula IZ = 3 mm 7760078
NPT20 Organism Candida albicans Candida albicans MIC = 1.56 ug/ml 7760078
NPT20 Organism Candida albicans Candida albicans MFC = 3.12 ug/ml 7760078
NPT188 Organism Candida parapsilosis Candida parapsilosis MIC = 3.12 ug/ml 7760078
NPT188 Organism Candida parapsilosis Candida parapsilosis MFC = 12.5 ug/ml 7760078
NPT20 Organism Candida albicans Candida albicans MFC = 6.25 ug/ml 7760078
NPT186 Organism Candida tropicalis Candida tropicalis MIC = 1.56 ug/ml 7760078
NPT186 Organism Candida tropicalis Candida tropicalis MFC = 3.12 ug/ml 7760078
NPT186 Organism Candida tropicalis Candida tropicalis MIC = 0.78 ug/ml 7760078
NPT186 Organism Candida tropicalis Candida tropicalis MFC = 6.25 ug/ml 7760078
NPT3589 Organism Candida deformans Candida deformans MIC = 0.78 ug/ml 7760078
NPT3589 Organism Candida deformans Candida deformans MFC = 1.56 ug/ml 7760078
NPT2595 Organism Torula Torula MIC = 12.5 ug/ml 7760078
NPT2595 Organism Torula Torula MFC = 12.5 ug/ml 7760078
NPT32 Organism Mus musculus Mus musculus Activity = 22.5 ug 7760078
NPT32 Organism Mus musculus Mus musculus Activity = 24.1 ug 7760078
NPT32 Organism Mus musculus Mus musculus Activity = 24.7 ug 7760078
NPT32 Organism Mus musculus Mus musculus LD50 = 423 mg/kg 7760078
NPT32 Organism Mus musculus Mus musculus LD50 = 316 mg/kg 7760078
NPT20 Organism Candida albicans Candida albicans Activity = 59.9 % 7760078
NPT20 Organism Candida albicans Candida albicans Activity = 95.34 % 7760078
NPT20 Organism Candida albicans Candida albicans Activity = 76.7 % 7760078
NPT20 Organism Candida albicans Candida albicans Activity = 75 % 7760078
NPT20 Organism Candida albicans Candida albicans Activity = 70.27 % 7760078
NPT20 Organism Candida albicans Candida albicans MIC = 14000 nM 15730247
NPT20 Organism Candida albicans Candida albicans MIC = 3.125 ug/ml 10346966
NPT20 Organism Candida albicans Candida albicans MFC = 6.25 ug/ml 10346966
NPT20 Organism Candida albicans Candida albicans MIC = 6.25 ug/ml 18611050
NPT327 Organism Microsporum gypseum Microsporum gypseum MIC = 12.5 ug/ml 18611050
NPT81 Cell Line A549 Homo sapiens IC50 = 300 nM 18651771
NPT116 Cell Line HL-60 Homo sapiens IC50 = 4200 nM 20038159
NPT81 Cell Line A549 Homo sapiens IC50 = 1600 nM 20038159
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 1300 nM 20038159
NPT20 Organism Candida albicans Candida albicans MIC = 6.25 ug/ml 21131198
NPT1533 Organism Saccharomyces Saccharomyces MIC = 12.5 ug/ml 21131198
NPT327 Organism Microsporum gypseum Microsporum gypseum MIC = 12.5 ug/ml 21131198
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC = 25 ug/ml 21131198

  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 NPC66110 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
0.9894 High Similarity NPC62670
0.9894 High Similarity NPC116139
0.9681 High Similarity NPC244411
0.9574 High Similarity NPC47834
0.9468 High Similarity NPC9812
0.9375 High Similarity NPC280963
0.9271 High Similarity NPC64742
0.9082 High Similarity NPC206079
0.9 High Similarity NPC309190
0.8532 High Similarity NPC13710
0.8468 Intermediate Similarity NPC470829
0.8468 Intermediate Similarity NPC473228
0.8454 Intermediate Similarity NPC472705
0.8333 Intermediate Similarity NPC475099
0.8163 Intermediate Similarity NPC77337
0.8039 Intermediate Similarity NPC170143
0.8039 Intermediate Similarity NPC108475
0.8039 Intermediate Similarity NPC213947
0.8 Intermediate Similarity NPC476049
0.7946 Intermediate Similarity NPC476959
0.7921 Intermediate Similarity NPC90453
0.7909 Intermediate Similarity NPC76550
0.7909 Intermediate Similarity NPC123855
0.7895 Intermediate Similarity NPC476962
0.7864 Intermediate Similarity NPC40812
0.7864 Intermediate Similarity NPC477949
0.7843 Intermediate Similarity NPC272050
0.7843 Intermediate Similarity NPC37408
0.7843 Intermediate Similarity NPC67584
0.7843 Intermediate Similarity NPC469873
0.7838 Intermediate Similarity NPC106395
0.7838 Intermediate Similarity NPC46269
0.7835 Intermediate Similarity NPC476628
0.781 Intermediate Similarity NPC146822
0.781 Intermediate Similarity NPC477950
0.781 Intermediate Similarity NPC171759
0.7788 Intermediate Similarity NPC308567
0.7788 Intermediate Similarity NPC261377
0.7788 Intermediate Similarity NPC255592
0.7768 Intermediate Similarity NPC133677
0.7768 Intermediate Similarity NPC138303
0.7768 Intermediate Similarity NPC67290
0.7767 Intermediate Similarity NPC213078
0.7766 Intermediate Similarity NPC469617
0.7757 Intermediate Similarity NPC239162
0.7757 Intermediate Similarity NPC100487
0.7755 Intermediate Similarity NPC122502
0.7748 Intermediate Similarity NPC138757
0.7736 Intermediate Similarity NPC475091
0.7736 Intermediate Similarity NPC478156
0.7727 Intermediate Similarity NPC477103
0.7723 Intermediate Similarity NPC290651
0.7723 Intermediate Similarity NPC45579
0.7723 Intermediate Similarity NPC221282
0.7714 Intermediate Similarity NPC469872
0.7714 Intermediate Similarity NPC475053
0.7714 Intermediate Similarity NPC469864
0.77 Intermediate Similarity NPC212598
0.7699 Intermediate Similarity NPC476963
0.7692 Intermediate Similarity NPC161493
0.7692 Intermediate Similarity NPC55602
0.7692 Intermediate Similarity NPC202705
0.7685 Intermediate Similarity NPC223450
0.7685 Intermediate Similarity NPC314244
0.767 Intermediate Similarity NPC52044
0.7664 Intermediate Similarity NPC110989
0.7653 Intermediate Similarity NPC245434
0.7647 Intermediate Similarity NPC473273
0.7647 Intermediate Similarity NPC60386
0.7647 Intermediate Similarity NPC473263
0.7647 Intermediate Similarity NPC308656
0.7647 Intermediate Similarity NPC473234
0.7642 Intermediate Similarity NPC474742
0.7642 Intermediate Similarity NPC150923
0.7636 Intermediate Similarity NPC47951
0.7636 Intermediate Similarity NPC477102
0.7632 Intermediate Similarity NPC471145
0.7632 Intermediate Similarity NPC239273
0.7624 Intermediate Similarity NPC301969
0.7624 Intermediate Similarity NPC37607
0.7619 Intermediate Similarity NPC470188
0.7619 Intermediate Similarity NPC83895
0.7619 Intermediate Similarity NPC187761
0.7619 Intermediate Similarity NPC141191
0.7619 Intermediate Similarity NPC221615
0.7615 Intermediate Similarity NPC470192
0.7615 Intermediate Similarity NPC476958
0.7611 Intermediate Similarity NPC265290
0.7611 Intermediate Similarity NPC470953
0.7611 Intermediate Similarity NPC305044
0.76 Intermediate Similarity NPC472677
0.76 Intermediate Similarity NPC58532
0.7596 Intermediate Similarity NPC185553
0.7596 Intermediate Similarity NPC126156
0.7593 Intermediate Similarity NPC203659
0.7589 Intermediate Similarity NPC313921
0.7589 Intermediate Similarity NPC98038
0.7576 Intermediate Similarity NPC234038
0.7573 Intermediate Similarity NPC127019
0.7573 Intermediate Similarity NPC167219
0.7573 Intermediate Similarity NPC477131
0.757 Intermediate Similarity NPC225353
0.757 Intermediate Similarity NPC473596
0.7568 Intermediate Similarity NPC238850
0.7568 Intermediate Similarity NPC257240
0.7568 Intermediate Similarity NPC41551
0.7568 Intermediate Similarity NPC50223
0.7565 Intermediate Similarity NPC288679
0.7551 Intermediate Similarity NPC14575
0.7551 Intermediate Similarity NPC472958
0.7551 Intermediate Similarity NPC472957
0.7551 Intermediate Similarity NPC196487
0.7549 Intermediate Similarity NPC261607
0.7549 Intermediate Similarity NPC111114
0.7549 Intermediate Similarity NPC300312
0.7547 Intermediate Similarity NPC241221
0.7547 Intermediate Similarity NPC290802
0.7545 Intermediate Similarity NPC220155
0.7545 Intermediate Similarity NPC137286
0.7545 Intermediate Similarity NPC71220
0.7544 Intermediate Similarity NPC148458
0.7542 Intermediate Similarity NPC472768
0.7525 Intermediate Similarity NPC115179
0.7525 Intermediate Similarity NPC106040
0.7524 Intermediate Similarity NPC169205
0.7523 Intermediate Similarity NPC472935
0.7523 Intermediate Similarity NPC243998
0.7522 Intermediate Similarity NPC312017
0.7522 Intermediate Similarity NPC9848
0.7522 Intermediate Similarity NPC209058
0.7522 Intermediate Similarity NPC101400
0.7522 Intermediate Similarity NPC101965
0.7521 Intermediate Similarity NPC46570
0.75 Intermediate Similarity NPC179798
0.75 Intermediate Similarity NPC473283
0.75 Intermediate Similarity NPC472667
0.75 Intermediate Similarity NPC209355
0.75 Intermediate Similarity NPC72151
0.75 Intermediate Similarity NPC191283
0.75 Intermediate Similarity NPC287311
0.75 Intermediate Similarity NPC477959
0.75 Intermediate Similarity NPC478145
0.75 Intermediate Similarity NPC86005
0.75 Intermediate Similarity NPC171395
0.75 Intermediate Similarity NPC280566
0.75 Intermediate Similarity NPC213698
0.75 Intermediate Similarity NPC183570
0.75 Intermediate Similarity NPC47747
0.75 Intermediate Similarity NPC180640
0.75 Intermediate Similarity NPC170120
0.75 Intermediate Similarity NPC472755
0.75 Intermediate Similarity NPC329345
0.75 Intermediate Similarity NPC475871
0.75 Intermediate Similarity NPC477092
0.75 Intermediate Similarity NPC304886
0.75 Intermediate Similarity NPC475945
0.75 Intermediate Similarity NPC475526
0.75 Intermediate Similarity NPC304180
0.7478 Intermediate Similarity NPC475305
0.7477 Intermediate Similarity NPC475274
0.7476 Intermediate Similarity NPC153590
0.7475 Intermediate Similarity NPC146850
0.7475 Intermediate Similarity NPC287015
0.7474 Intermediate Similarity NPC222210
0.7474 Intermediate Similarity NPC63445
0.7458 Intermediate Similarity NPC107493
0.7451 Intermediate Similarity NPC473448
0.7451 Intermediate Similarity NPC145666
0.7436 Intermediate Similarity NPC472004
0.7436 Intermediate Similarity NPC143755
0.7436 Intermediate Similarity NPC19336
0.7436 Intermediate Similarity NPC184555
0.7436 Intermediate Similarity NPC185876
0.7434 Intermediate Similarity NPC90952
0.7434 Intermediate Similarity NPC66108
0.7434 Intermediate Similarity NPC475970
0.7431 Intermediate Similarity NPC121099
0.7431 Intermediate Similarity NPC474741
0.7431 Intermediate Similarity NPC169843
0.7431 Intermediate Similarity NPC272632
0.7429 Intermediate Similarity NPC142529
0.7429 Intermediate Similarity NPC18019
0.7429 Intermediate Similarity NPC29952
0.7429 Intermediate Similarity NPC24956
0.7429 Intermediate Similarity NPC91771
0.7429 Intermediate Similarity NPC230800
0.7426 Intermediate Similarity NPC474471
0.7426 Intermediate Similarity NPC153805
0.7426 Intermediate Similarity NPC227379
0.7423 Intermediate Similarity NPC59994
0.7423 Intermediate Similarity NPC78677
0.7414 Intermediate Similarity NPC475309
0.7414 Intermediate Similarity NPC475401
0.7414 Intermediate Similarity NPC472760
0.7411 Intermediate Similarity NPC471884
0.7411 Intermediate Similarity NPC181298
0.7407 Intermediate Similarity NPC49393
0.7407 Intermediate Similarity NPC105725
0.7407 Intermediate Similarity NPC472754
0.7407 Intermediate Similarity NPC474747

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC66110 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
0.7568 Intermediate Similarity NPD6371 Approved
0.7451 Intermediate Similarity NPD5785 Approved
0.7333 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD5779 Approved
0.7308 Intermediate Similarity NPD5778 Approved
0.7297 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD7983 Approved
0.7212 Intermediate Similarity NPD7637 Suspended
0.713 Intermediate Similarity NPD6053 Discontinued
0.7103 Intermediate Similarity NPD7839 Suspended
0.7048 Intermediate Similarity NPD6411 Approved
0.7 Intermediate Similarity NPD6319 Approved
0.7 Intermediate Similarity NPD5209 Approved
0.6961 Remote Similarity NPD5363 Approved
0.696 Remote Similarity NPD7319 Approved
0.6952 Remote Similarity NPD6698 Approved
0.6952 Remote Similarity NPD46 Approved
0.693 Remote Similarity NPD6686 Approved
0.6916 Remote Similarity NPD5282 Discontinued
0.6909 Remote Similarity NPD7640 Approved
0.6909 Remote Similarity NPD7639 Approved
0.6893 Remote Similarity NPD5786 Approved
0.6891 Remote Similarity NPD7115 Discovery
0.6887 Remote Similarity NPD5284 Approved
0.6887 Remote Similarity NPD5281 Approved
0.6857 Remote Similarity NPD6101 Approved
0.6857 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6855 Remote Similarity NPD7507 Approved
0.6852 Remote Similarity NPD5695 Phase 3
0.6842 Remote Similarity NPD5697 Approved
0.6832 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6818 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6818 Remote Similarity NPD7638 Approved
0.6792 Remote Similarity NPD7838 Discovery
0.6783 Remote Similarity NPD6881 Approved
0.6783 Remote Similarity NPD6899 Approved
0.6768 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6765 Remote Similarity NPD5362 Discontinued
0.6752 Remote Similarity NPD6649 Approved
0.6752 Remote Similarity NPD6650 Approved
0.6729 Remote Similarity NPD5693 Phase 1
0.6729 Remote Similarity NPD5694 Approved
0.6727 Remote Similarity NPD6084 Phase 2
0.6727 Remote Similarity NPD6083 Phase 2
0.6724 Remote Similarity NPD6014 Approved
0.6724 Remote Similarity NPD6013 Approved
0.6724 Remote Similarity NPD6012 Approved
0.6698 Remote Similarity NPD1695 Approved
0.6695 Remote Similarity NPD6882 Approved
0.6695 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD7503 Approved
0.6667 Remote Similarity NPD7102 Approved
0.6667 Remote Similarity NPD8517 Approved
0.6667 Remote Similarity NPD8513 Phase 3
0.6667 Remote Similarity NPD6883 Approved
0.6667 Remote Similarity NPD7290 Approved
0.6667 Remote Similarity NPD4225 Approved
0.6667 Remote Similarity NPD8515 Approved
0.6667 Remote Similarity NPD5696 Approved
0.6667 Remote Similarity NPD6435 Approved
0.6667 Remote Similarity NPD4270 Approved
0.6667 Remote Similarity NPD8516 Approved
0.6667 Remote Similarity NPD4269 Approved
0.664 Remote Similarity NPD7492 Approved
0.6639 Remote Similarity NPD4632 Approved
0.6638 Remote Similarity NPD6011 Approved
0.6637 Remote Similarity NPD5211 Phase 2
0.6636 Remote Similarity NPD5207 Approved
0.6636 Remote Similarity NPD5692 Phase 3
0.661 Remote Similarity NPD6617 Approved
0.661 Remote Similarity NPD6847 Approved
0.661 Remote Similarity NPD8130 Phase 1
0.661 Remote Similarity NPD6869 Approved
0.6609 Remote Similarity NPD6675 Approved
0.6609 Remote Similarity NPD7128 Approved
0.6609 Remote Similarity NPD6402 Approved
0.6609 Remote Similarity NPD5739 Approved
0.6589 Remote Similarity NPD7260 Phase 2
0.6587 Remote Similarity NPD6616 Approved
0.6585 Remote Similarity NPD6054 Approved
0.6581 Remote Similarity NPD6372 Approved
0.6581 Remote Similarity NPD6373 Approved
0.6574 Remote Similarity NPD6050 Approved
0.6571 Remote Similarity NPD4249 Approved
0.6569 Remote Similarity NPD5369 Approved
0.6552 Remote Similarity NPD5701 Approved
0.6535 Remote Similarity NPD7078 Approved
0.6532 Remote Similarity NPD6016 Approved
0.6532 Remote Similarity NPD6015 Approved
0.6525 Remote Similarity NPD4634 Approved
0.6522 Remote Similarity NPD5141 Approved
0.6509 Remote Similarity NPD4250 Approved
0.6509 Remote Similarity NPD4251 Approved
0.6496 Remote Similarity NPD7320 Approved
0.6484 Remote Similarity NPD7736 Approved
0.648 Remote Similarity NPD6370 Approved
0.648 Remote Similarity NPD5988 Approved
0.6476 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6476 Remote Similarity NPD1694 Approved
0.6475 Remote Similarity NPD6009 Approved
0.6471 Remote Similarity NPD4819 Approved
0.6471 Remote Similarity NPD4820 Approved
0.6471 Remote Similarity NPD5368 Approved
0.6471 Remote Similarity NPD4822 Approved
0.6471 Remote Similarity NPD4252 Approved
0.6471 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4821 Approved
0.6466 Remote Similarity NPD6008 Approved
0.6465 Remote Similarity NPD8039 Approved
0.646 Remote Similarity NPD4696 Approved
0.646 Remote Similarity NPD6648 Approved
0.646 Remote Similarity NPD5285 Approved
0.646 Remote Similarity NPD5286 Approved
0.6449 Remote Similarity NPD4518 Approved
0.6442 Remote Similarity NPD7154 Phase 3
0.6442 Remote Similarity NPD6695 Phase 3
0.6415 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6415 Remote Similarity NPD5280 Approved
0.6415 Remote Similarity NPD5690 Phase 2
0.6415 Remote Similarity NPD4694 Approved
0.6406 Remote Similarity NPD8074 Phase 3
0.64 Remote Similarity NPD5983 Phase 2
0.6396 Remote Similarity NPD5210 Approved
0.6396 Remote Similarity NPD4629 Approved
0.6389 Remote Similarity NPD6080 Approved
0.6389 Remote Similarity NPD6904 Approved
0.6389 Remote Similarity NPD6673 Approved
0.6389 Remote Similarity NPD4753 Phase 2
0.6381 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6355 Remote Similarity NPD3573 Approved
0.6348 Remote Similarity NPD7632 Discontinued
0.6348 Remote Similarity NPD4633 Approved
0.6348 Remote Similarity NPD5224 Approved
0.6348 Remote Similarity NPD5225 Approved
0.6348 Remote Similarity NPD5226 Approved
0.6346 Remote Similarity NPD4221 Approved
0.6346 Remote Similarity NPD4223 Phase 3
0.6343 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6333 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6321 Remote Similarity NPD6082 Clinical (unspecified phase)
0.632 Remote Similarity NPD6059 Approved
0.6316 Remote Similarity NPD6404 Discontinued
0.6299 Remote Similarity NPD7604 Phase 2
0.6299 Remote Similarity NPD7830 Approved
0.6299 Remote Similarity NPD7829 Approved
0.6296 Remote Similarity NPD6672 Approved
0.6296 Remote Similarity NPD5737 Approved
0.6296 Remote Similarity NPD5208 Approved
0.6293 Remote Similarity NPD5174 Approved
0.6293 Remote Similarity NPD5175 Approved
0.629 Remote Similarity NPD7328 Approved
0.629 Remote Similarity NPD7327 Approved
0.6286 Remote Similarity NPD5332 Approved
0.6286 Remote Similarity NPD5331 Approved
0.6283 Remote Similarity NPD4755 Approved
0.6279 Remote Similarity NPD8293 Discontinued
0.6275 Remote Similarity NPD4268 Approved
0.6275 Remote Similarity NPD4271 Approved
0.6273 Remote Similarity NPD6079 Approved
0.6271 Remote Similarity NPD6412 Phase 2
0.6262 Remote Similarity NPD7146 Approved
0.6262 Remote Similarity NPD7334 Approved
0.6262 Remote Similarity NPD6684 Approved
0.6262 Remote Similarity NPD6409 Approved
0.6262 Remote Similarity NPD5279 Phase 3
0.6262 Remote Similarity NPD5330 Approved
0.6262 Remote Similarity NPD7521 Approved
0.6261 Remote Similarity NPD5344 Discontinued
0.6261 Remote Similarity NPD5223 Approved
0.626 Remote Similarity NPD6274 Approved
0.625 Remote Similarity NPD5955 Clinical (unspecified phase)
0.625 Remote Similarity NPD4790 Discontinued
0.625 Remote Similarity NPD6356 Clinical (unspecified phase)
0.625 Remote Similarity NPD5654 Approved
0.624 Remote Similarity NPD7101 Approved
0.624 Remote Similarity NPD7100 Approved
0.624 Remote Similarity NPD7516 Approved
0.6226 Remote Similarity NPD4197 Approved
0.6218 Remote Similarity NPD4730 Approved
0.6218 Remote Similarity NPD4729 Approved
0.6218 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6216 Remote Similarity NPD6399 Phase 3
0.621 Remote Similarity NPD6317 Approved
0.6204 Remote Similarity NPD7524 Approved
0.6204 Remote Similarity NPD7750 Discontinued
0.6202 Remote Similarity NPD8273 Phase 1
0.6202 Remote Similarity NPD6336 Discontinued
0.6198 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6195 Remote Similarity NPD5221 Approved
0.6195 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6195 Remote Similarity NPD5222 Approved
0.619 Remote Similarity NPD8377 Approved
0.619 Remote Similarity NPD8294 Approved
0.6182 Remote Similarity NPD4096 Approved
0.6176 Remote Similarity NPD4756 Discovery
0.6174 Remote Similarity NPD4700 Approved
0.6168 Remote Similarity NPD5329 Approved
0.6167 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6165 Remote Similarity NPD6845 Suspended
0.616 Remote Similarity NPD6313 Approved

Structure

External Identifiers

PubChem CID   6475943
ChEMBL   CHEMBL218534
ZINC  

Physicochemical Properties

Molecular Weight:  432.18
ALogP:  1.4043
MLogP:  3.11
XLogP:  1.587
# Rotatable Bonds:  12
Polar Surface Area:  116.2
# H-Bond Aceptor:  8
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  31

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