Natural Product: NPC477302

Natural Product ID:  NPC477302
Common Name:   [(3aR,4R,7aR)-5-[(2S)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-methylbutanoate
IUPAC Name:   [(3aR,4R,7aR)-5-[(2S)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-methylbutanoate
Synonyms:   6beta-O-(2-methylbutyryl)britannilactone
Molecular Formula:   C20H30O5
Standard InCHIKey:  SVXWZIOAARZZFZ-XKIUHSEASA-N
Standard InCHI:  InChI=1S/C20H30O5/c1-6-11(2)19(22)25-18-16(12(3)8-7-9-21)13(4)10-15-17(18)14(5)20(23)24-15/h11-12,15,17-18,21H,5-10H2,1-4H3/t11?,12-,15+,17+,18-/m0/s1
Canonical SMILES:  OCCC[C@@H](C1=C(C)C[C@@H]2[C@H]([C@H]1OC(=O)C(CC)C)C(=C)C(=O)O2)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
NPO17782 Inula britannica Species Asteraceae Eukaryota flowers PMID[16643020]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT407 Cell Line COLO 205 Homo sapiens IC50 = 58700 nM 16643020
NPT139 Cell Line HT-29 Homo sapiens IC50 = 48100 nM 16643020
NPT116 Cell Line HL-60 Homo sapiens IC50 = 47100 nM 16643020
NPT196 Cell Line AGS Homo sapiens IC50 = 31300 nM 16643020
NPT407 Cell Line COLO 205 Homo sapiens Activity = 5.33 % 16643020
NPT407 Cell Line COLO 205 Homo sapiens Activity = 5.86 % 16643020
NPT407 Cell Line COLO 205 Homo sapiens Activity = 15.2 % 16643020
NPT407 Cell Line COLO 205 Homo sapiens Activity = 27.21 % 16643020
NPT407 Cell Line COLO 205 Homo sapiens Activity = 36.24 % 16643020
NPT139 Cell Line HT-29 Homo sapiens Activity = 4.24 % 16643020
NPT139 Cell Line HT-29 Homo sapiens Activity = 3.68 % 16643020
NPT139 Cell Line HT-29 Homo sapiens Activity = 3.93 % 16643020
NPT139 Cell Line HT-29 Homo sapiens Activity = 5.16 % 16643020
NPT139 Cell Line HT-29 Homo sapiens Activity = 6.4 % 16643020
NPT116 Cell Line HL-60 Homo sapiens Activity = 6.41 % 16643020
NPT116 Cell Line HL-60 Homo sapiens Activity = 5.36 % 16643020
NPT116 Cell Line HL-60 Homo sapiens Activity = 10.53 % 16643020
NPT116 Cell Line HL-60 Homo sapiens Activity = 28.6 % 16643020
NPT116 Cell Line HL-60 Homo sapiens Activity = 27.05 % 16643020
NPT196 Cell Line AGS Homo sapiens Activity = 10.89 % 16643020
NPT196 Cell Line AGS Homo sapiens Activity = 11.38 % 16643020
NPT196 Cell Line AGS Homo sapiens Activity = 17.76 % 16643020
NPT196 Cell Line AGS Homo sapiens Activity = 28.48 % 16643020
NPT196 Cell Line AGS Homo sapiens Activity = 27.1 % 16643020

  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 NPC477302 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
0.988 High Similarity NPC206001
0.988 High Similarity NPC218927
0.9759 High Similarity NPC136879
0.9512 High Similarity NPC159635
0.8851 High Similarity NPC277771
0.8764 High Similarity NPC186363
0.8764 High Similarity NPC233345
0.8721 High Similarity NPC255307
0.8681 High Similarity NPC183012
0.8621 High Similarity NPC475461
0.8621 High Similarity NPC305475
0.8605 High Similarity NPC191476
0.8605 High Similarity NPC114979
0.8602 High Similarity NPC216478
0.8506 High Similarity NPC165162
0.8488 Intermediate Similarity NPC131669
0.8488 Intermediate Similarity NPC473390
0.8409 Intermediate Similarity NPC250981
0.8409 Intermediate Similarity NPC150755
0.8391 Intermediate Similarity NPC96259
0.8391 Intermediate Similarity NPC476804
0.8391 Intermediate Similarity NPC295799
0.8391 Intermediate Similarity NPC141193
0.8372 Intermediate Similarity NPC229825
0.8372 Intermediate Similarity NPC89555
0.8352 Intermediate Similarity NPC72845
0.8316 Intermediate Similarity NPC47024
0.8316 Intermediate Similarity NPC474012
0.8316 Intermediate Similarity NPC476299
0.8315 Intermediate Similarity NPC305029
0.8315 Intermediate Similarity NPC470012
0.828 Intermediate Similarity NPC157686
0.828 Intermediate Similarity NPC259042
0.8276 Intermediate Similarity NPC40746
0.8276 Intermediate Similarity NPC169575
0.8261 Intermediate Similarity NPC139692
0.8256 Intermediate Similarity NPC301477
0.8256 Intermediate Similarity NPC24417
0.8256 Intermediate Similarity NPC141810
0.8256 Intermediate Similarity NPC281949
0.8256 Intermediate Similarity NPC25684
0.8242 Intermediate Similarity NPC469368
0.8242 Intermediate Similarity NPC158488
0.8235 Intermediate Similarity NPC470244
0.8235 Intermediate Similarity NPC98557
0.8235 Intermediate Similarity NPC167881
0.8235 Intermediate Similarity NPC470239
0.8222 Intermediate Similarity NPC477128
0.8214 Intermediate Similarity NPC116177
0.8214 Intermediate Similarity NPC320630
0.8214 Intermediate Similarity NPC7563
0.8202 Intermediate Similarity NPC185638
0.8202 Intermediate Similarity NPC477920
0.8202 Intermediate Similarity NPC85698
0.8202 Intermediate Similarity NPC6979
0.8191 Intermediate Similarity NPC284518
0.8182 Intermediate Similarity NPC158756
0.8172 Intermediate Similarity NPC469596
0.8172 Intermediate Similarity NPC24861
0.8172 Intermediate Similarity NPC477129
0.8172 Intermediate Similarity NPC148000
0.8172 Intermediate Similarity NPC477130
0.8172 Intermediate Similarity NPC225474
0.8144 Intermediate Similarity NPC31058
0.8144 Intermediate Similarity NPC476081
0.8144 Intermediate Similarity NPC273005
0.8144 Intermediate Similarity NPC469606
0.8132 Intermediate Similarity NPC168131
0.8118 Intermediate Similarity NPC108816
0.8118 Intermediate Similarity NPC93763
0.8111 Intermediate Similarity NPC181103
0.8111 Intermediate Similarity NPC312561
0.8105 Intermediate Similarity NPC224356
0.8105 Intermediate Similarity NPC132753
0.8105 Intermediate Similarity NPC474343
0.8105 Intermediate Similarity NPC70145
0.8105 Intermediate Similarity NPC473963
0.8105 Intermediate Similarity NPC151681
0.8105 Intermediate Similarity NPC121402
0.8105 Intermediate Similarity NPC91695
0.8105 Intermediate Similarity NPC175351
0.81 Intermediate Similarity NPC275539
0.81 Intermediate Similarity NPC189075
0.809 Intermediate Similarity NPC470755
0.8081 Intermediate Similarity NPC477125
0.8081 Intermediate Similarity NPC469607
0.8068 Intermediate Similarity NPC59097
0.8065 Intermediate Similarity NPC475838
0.8065 Intermediate Similarity NPC228451
0.8065 Intermediate Similarity NPC475302
0.8065 Intermediate Similarity NPC125674
0.8065 Intermediate Similarity NPC475912
0.8061 Intermediate Similarity NPC476237
0.8046 Intermediate Similarity NPC52861
0.8043 Intermediate Similarity NPC129419
0.8043 Intermediate Similarity NPC232426
0.8043 Intermediate Similarity NPC475855
0.8043 Intermediate Similarity NPC281942
0.8041 Intermediate Similarity NPC469657
0.8041 Intermediate Similarity NPC81530
0.8041 Intermediate Similarity NPC244456
0.8023 Intermediate Similarity NPC19841
0.8023 Intermediate Similarity NPC617
0.8022 Intermediate Similarity NPC202672
0.8022 Intermediate Similarity NPC476805
0.8022 Intermediate Similarity NPC476803
0.8 Intermediate Similarity NPC110496
0.8 Intermediate Similarity NPC469910
0.8 Intermediate Similarity NPC470240
0.8 Intermediate Similarity NPC472363
0.8 Intermediate Similarity NPC171204
0.8 Intermediate Similarity NPC134072
0.8 Intermediate Similarity NPC234993
0.8 Intermediate Similarity NPC41780
0.8 Intermediate Similarity NPC472362
0.8 Intermediate Similarity NPC141789
0.8 Intermediate Similarity NPC242848
0.8 Intermediate Similarity NPC476028
0.8 Intermediate Similarity NPC187568
0.8 Intermediate Similarity NPC93245
0.8 Intermediate Similarity NPC9231
0.8 Intermediate Similarity NPC476794
0.8 Intermediate Similarity NPC473226
0.8 Intermediate Similarity NPC154526
0.8 Intermediate Similarity NPC473964
0.8 Intermediate Similarity NPC97516
0.7979 Intermediate Similarity NPC470697
0.7979 Intermediate Similarity NPC250075
0.7979 Intermediate Similarity NPC474247
0.7979 Intermediate Similarity NPC57117
0.7978 Intermediate Similarity NPC470011
0.7959 Intermediate Similarity NPC136289
0.7959 Intermediate Similarity NPC165250
0.7957 Intermediate Similarity NPC30515
0.7957 Intermediate Similarity NPC141831
0.7957 Intermediate Similarity NPC184463
0.7955 Intermediate Similarity NPC178676
0.7955 Intermediate Similarity NPC474252
0.7938 Intermediate Similarity NPC476303
0.7935 Intermediate Similarity NPC474396
0.7935 Intermediate Similarity NPC116620
0.7935 Intermediate Similarity NPC5509
0.7935 Intermediate Similarity NPC73995
0.7935 Intermediate Similarity NPC50488
0.7935 Intermediate Similarity NPC295312
0.7935 Intermediate Similarity NPC268298
0.7917 Intermediate Similarity NPC73911
0.7917 Intermediate Similarity NPC136781
0.7907 Intermediate Similarity NPC196653
0.7907 Intermediate Similarity NPC267231
0.7907 Intermediate Similarity NPC471465
0.7895 Intermediate Similarity NPC14961
0.7895 Intermediate Similarity NPC316215
0.7895 Intermediate Similarity NPC36954
0.7895 Intermediate Similarity NPC270013
0.7895 Intermediate Similarity NPC213698
0.7895 Intermediate Similarity NPC304886
0.7889 Intermediate Similarity NPC52628
0.7882 Intermediate Similarity NPC235906
0.7879 Intermediate Similarity NPC159533
0.7879 Intermediate Similarity NPC120321
0.7872 Intermediate Similarity NPC476300
0.7872 Intermediate Similarity NPC469692
0.7872 Intermediate Similarity NPC469645
0.7872 Intermediate Similarity NPC179746
0.7872 Intermediate Similarity NPC166346
0.7872 Intermediate Similarity NPC212486
0.7872 Intermediate Similarity NPC115021
0.7872 Intermediate Similarity NPC81419
0.7865 Intermediate Similarity NPC470948
0.7865 Intermediate Similarity NPC250315
0.7857 Intermediate Similarity NPC476355
0.7857 Intermediate Similarity NPC235142
0.7857 Intermediate Similarity NPC308824
0.7857 Intermediate Similarity NPC140287
0.7849 Intermediate Similarity NPC144133
0.7849 Intermediate Similarity NPC472307
0.7849 Intermediate Similarity NPC51004
0.7849 Intermediate Similarity NPC475776
0.7849 Intermediate Similarity NPC179394
0.7849 Intermediate Similarity NPC152467
0.7841 Intermediate Similarity NPC470241
0.7835 Intermediate Similarity NPC476806
0.7835 Intermediate Similarity NPC316598
0.7835 Intermediate Similarity NPC478056
0.7835 Intermediate Similarity NPC278386
0.7835 Intermediate Similarity NPC476807
0.7835 Intermediate Similarity NPC159763
0.7835 Intermediate Similarity NPC473154
0.7835 Intermediate Similarity NPC222011
0.7835 Intermediate Similarity NPC124512
0.7835 Intermediate Similarity NPC23364
0.7835 Intermediate Similarity NPC222303
0.7831 Intermediate Similarity NPC163003
0.7826 Intermediate Similarity NPC226863
0.7826 Intermediate Similarity NPC215831
0.7826 Intermediate Similarity NPC473229
0.7826 Intermediate Similarity NPC475819
0.7822 Intermediate Similarity NPC187435
0.7822 Intermediate Similarity NPC143609

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477302 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
0.7835 Intermediate Similarity NPD4225 Approved
0.7692 Intermediate Similarity NPD1694 Approved
0.7526 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7474 Intermediate Similarity NPD6698 Approved
0.7474 Intermediate Similarity NPD46 Approved
0.7339 Intermediate Similarity NPD7115 Discovery
0.732 Intermediate Similarity NPD6399 Phase 3
0.73 Intermediate Similarity NPD7638 Approved
0.7283 Intermediate Similarity NPD7154 Phase 3
0.7228 Intermediate Similarity NPD7640 Approved
0.7228 Intermediate Similarity NPD7639 Approved
0.72 Intermediate Similarity NPD7902 Approved
0.7174 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5697 Approved
0.7143 Intermediate Similarity NPD5778 Approved
0.7143 Intermediate Similarity NPD5779 Approved
0.7113 Intermediate Similarity NPD5785 Approved
0.7103 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD6899 Approved
0.7075 Intermediate Similarity NPD6881 Approved
0.7071 Intermediate Similarity NPD7748 Approved
0.7053 Intermediate Similarity NPD3618 Phase 1
0.7048 Intermediate Similarity NPD6675 Approved
0.7048 Intermediate Similarity NPD7128 Approved
0.7048 Intermediate Similarity NPD5739 Approved
0.7048 Intermediate Similarity NPD6402 Approved
0.7041 Intermediate Similarity NPD7515 Phase 2
0.7037 Intermediate Similarity NPD6649 Approved
0.7037 Intermediate Similarity NPD6650 Approved
0.701 Intermediate Similarity NPD6101 Approved
0.701 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD1695 Approved
0.7009 Intermediate Similarity NPD6013 Approved
0.7009 Intermediate Similarity NPD6373 Approved
0.7009 Intermediate Similarity NPD6012 Approved
0.7009 Intermediate Similarity NPD6372 Approved
0.7009 Intermediate Similarity NPD6014 Approved
0.6981 Remote Similarity NPD5701 Approved
0.6981 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6972 Remote Similarity NPD6053 Discontinued
0.6957 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6947 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6947 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6947 Remote Similarity NPD5363 Approved
0.6944 Remote Similarity NPD6883 Approved
0.6944 Remote Similarity NPD7290 Approved
0.6944 Remote Similarity NPD7102 Approved
0.6939 Remote Similarity NPD7838 Discovery
0.6916 Remote Similarity NPD6011 Approved
0.6916 Remote Similarity NPD6686 Approved
0.6916 Remote Similarity NPD7320 Approved
0.6915 Remote Similarity NPD5362 Discontinued
0.69 Remote Similarity NPD7901 Clinical (unspecified phase)
0.69 Remote Similarity NPD7900 Approved
0.6881 Remote Similarity NPD6869 Approved
0.6881 Remote Similarity NPD8130 Phase 1
0.6881 Remote Similarity NPD6847 Approved
0.6881 Remote Similarity NPD6617 Approved
0.6869 Remote Similarity NPD6411 Approved
0.6869 Remote Similarity NPD8035 Phase 2
0.6869 Remote Similarity NPD8034 Phase 2
0.6827 Remote Similarity NPD5344 Discontinued
0.6822 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6818 Remote Similarity NPD8297 Approved
0.6818 Remote Similarity NPD6882 Approved
0.6809 Remote Similarity NPD4269 Approved
0.6809 Remote Similarity NPD4270 Approved
0.6809 Remote Similarity NPD6435 Approved
0.6809 Remote Similarity NPD3667 Approved
0.6789 Remote Similarity NPD6371 Approved
0.6783 Remote Similarity NPD8517 Approved
0.6783 Remote Similarity NPD8513 Phase 3
0.6783 Remote Similarity NPD8515 Approved
0.6783 Remote Similarity NPD8516 Approved
0.6774 Remote Similarity NPD4819 Approved
0.6774 Remote Similarity NPD4821 Approved
0.6774 Remote Similarity NPD4820 Approved
0.6774 Remote Similarity NPD4822 Approved
0.6762 Remote Similarity NPD5211 Phase 2
0.6762 Remote Similarity NPD7632 Discontinued
0.6739 Remote Similarity NPD4268 Approved
0.6739 Remote Similarity NPD4271 Approved
0.6731 Remote Similarity NPD5286 Approved
0.6731 Remote Similarity NPD4696 Approved
0.6731 Remote Similarity NPD5285 Approved
0.6729 Remote Similarity NPD6008 Approved
0.6727 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6702 Remote Similarity NPD5369 Approved
0.6701 Remote Similarity NPD5786 Approved
0.6701 Remote Similarity NPD4249 Approved
0.67 Remote Similarity NPD7983 Approved
0.67 Remote Similarity NPD6079 Approved
0.6699 Remote Similarity NPD6084 Phase 2
0.6699 Remote Similarity NPD4755 Approved
0.6699 Remote Similarity NPD6083 Phase 2
0.6667 Remote Similarity NPD5328 Approved
0.6667 Remote Similarity NPD5695 Phase 3
0.6667 Remote Similarity NPD4786 Approved
0.6667 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6637 Remote Similarity NPD6274 Approved
0.6636 Remote Similarity NPD5141 Approved
0.6635 Remote Similarity NPD5696 Approved
0.6635 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6634 Remote Similarity NPD4202 Approved
0.6633 Remote Similarity NPD4250 Approved
0.6633 Remote Similarity NPD4251 Approved
0.6604 Remote Similarity NPD5225 Approved
0.6604 Remote Similarity NPD5226 Approved
0.6604 Remote Similarity NPD4633 Approved
0.6604 Remote Similarity NPD5224 Approved
0.6602 Remote Similarity NPD5221 Approved
0.6602 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6602 Remote Similarity NPD5222 Approved
0.6602 Remote Similarity NPD4697 Phase 3
0.6598 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6596 Remote Similarity NPD4252 Approved
0.6596 Remote Similarity NPD5368 Approved
0.6593 Remote Similarity NPD8039 Approved
0.6577 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6571 Remote Similarity NPD6648 Approved
0.6571 Remote Similarity NPD4700 Approved
0.6569 Remote Similarity NPD5282 Discontinued
0.6559 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6542 Remote Similarity NPD5175 Approved
0.6542 Remote Similarity NPD5174 Approved
0.6538 Remote Similarity NPD5173 Approved
0.6531 Remote Similarity NPD7521 Approved
0.6531 Remote Similarity NPD5330 Approved
0.6531 Remote Similarity NPD6684 Approved
0.6531 Remote Similarity NPD7334 Approved
0.6531 Remote Similarity NPD6409 Approved
0.6531 Remote Similarity NPD7146 Approved
0.6509 Remote Similarity NPD5223 Approved
0.6505 Remote Similarity NPD6356 Clinical (unspecified phase)
0.65 Remote Similarity NPD8074 Phase 3
0.6496 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6495 Remote Similarity NPD3666 Approved
0.6495 Remote Similarity NPD3133 Approved
0.6495 Remote Similarity NPD3665 Phase 1
0.6466 Remote Similarity NPD7100 Approved
0.6466 Remote Similarity NPD7101 Approved
0.6465 Remote Similarity NPD3573 Approved
0.646 Remote Similarity NPD4632 Approved
0.6452 Remote Similarity NPD4756 Discovery
0.6442 Remote Similarity NPD7839 Suspended
0.6435 Remote Similarity NPD6317 Approved
0.6417 Remote Similarity NPD7507 Approved
0.641 Remote Similarity NPD6319 Approved
0.64 Remote Similarity NPD5737 Approved
0.64 Remote Similarity NPD6672 Approved
0.64 Remote Similarity NPD7513 Clinical (unspecified phase)
0.64 Remote Similarity NPD6903 Approved
0.6396 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6392 Remote Similarity NPD5331 Approved
0.6392 Remote Similarity NPD5332 Approved
0.6379 Remote Similarity NPD6313 Approved
0.6379 Remote Similarity NPD6314 Approved
0.6379 Remote Similarity NPD6335 Approved
0.6373 Remote Similarity NPD5281 Approved
0.6373 Remote Similarity NPD5284 Approved
0.6373 Remote Similarity NPD5693 Phase 1
0.6364 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6354 Remote Similarity NPD4790 Discontinued
0.6348 Remote Similarity NPD6868 Approved
0.6346 Remote Similarity NPD4629 Approved
0.6346 Remote Similarity NPD5210 Approved
0.6337 Remote Similarity NPD4753 Phase 2
0.6333 Remote Similarity NPD7492 Approved
0.6327 Remote Similarity NPD3668 Phase 3
0.6322 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6306 Remote Similarity NPD4729 Approved
0.6306 Remote Similarity NPD4730 Approved
0.6306 Remote Similarity NPD5128 Approved
0.6306 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6293 Remote Similarity NPD6009 Approved
0.6289 Remote Similarity NPD5209 Approved
0.6281 Remote Similarity NPD6616 Approved
0.6273 Remote Similarity NPD4768 Approved
0.6273 Remote Similarity NPD4767 Approved
0.6271 Remote Similarity NPD6054 Approved
0.6263 Remote Similarity NPD1696 Phase 3
0.626 Remote Similarity NPD7319 Approved
0.625 Remote Similarity NPD4695 Discontinued
0.625 Remote Similarity NPD6001 Approved
0.6239 Remote Similarity NPD4754 Approved
0.623 Remote Similarity NPD7078 Approved
0.6218 Remote Similarity NPD6908 Approved
0.6218 Remote Similarity NPD5983 Phase 2
0.6218 Remote Similarity NPD6015 Approved
0.6218 Remote Similarity NPD6016 Approved
0.6218 Remote Similarity NPD6909 Approved
0.6216 Remote Similarity NPD6412 Phase 2
0.6214 Remote Similarity NPD7637 Suspended
0.6214 Remote Similarity NPD4810 Clinical (unspecified phase)
0.62 Remote Similarity NPD5279 Phase 3
0.62 Remote Similarity NPD6422 Discontinued
0.6195 Remote Similarity NPD5248 Approved
0.6195 Remote Similarity NPD5249 Phase 3
0.6195 Remote Similarity NPD5247 Approved

Structure

External Identifiers

PubChem CID   11638861
ChEMBL   CHEMBL479694
ZINC  

Physicochemical Properties

Molecular Weight:  350.21
ALogP:  0.4142
MLogP:  3.11
XLogP:  2.292
# Rotatable Bonds:  13
Polar Surface Area:  72.83
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  25

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Biological Activities  
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