Natural Product: NPC218927

Natural Product ID:  NPC218927
Common Name:   1-O-Acetylbritannilactone
IUPAC Name:   [(4S)-4-[(3aS,4R,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl] acetate
Synonyms:   1-O-Acetylbritannilactone
Molecular Formula:   C17H24O5
Standard InCHIKey:  QKUFZFLZBUSEHN-CIGJXOAISA-N
Standard InCHI:  InChI=1S/C17H24O5/c1-9(6-5-7-21-12(4)18)14-10(2)8-13-15(16(14)19)11(3)17(20)22-13/h9,13,15-16,19H,3,5-8H2,1-2,4H3/t9-,13+,15+,16-/m0/s1
Canonical SMILES:  CC(=O)OCCC[C@@H](C1=C(C)C[C@@H]2[C@H]([C@H]1O)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]
NPO17782 Inula britannica Species Asteraceae Eukaryota TM-MC*
NPO9124 Inula japonica Species Asteraceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens ID50 = 18.4 ug/ml 14980644
NPT181 Cell Line Bel-7402 Homo sapiens ID50 = 15.6 ug/ml 14980644
NPT407 Cell Line COLO 205 Homo sapiens IC50 > 100000 nM 16643020
NPT139 Cell Line HT-29 Homo sapiens IC50 = 96000 nM 16643020
NPT116 Cell Line HL-60 Homo sapiens IC50 > 100000 nM 16643020
NPT196 Cell Line AGS Homo sapiens IC50 > 100000 nM 16643020
NPT407 Cell Line COLO 205 Homo sapiens Activity = 13.44 % 16643020
NPT407 Cell Line COLO 205 Homo sapiens Activity = 11.32 % 16643020
NPT407 Cell Line COLO 205 Homo sapiens Activity = 16.48 % 16643020
NPT407 Cell Line COLO 205 Homo sapiens Activity = 16.59 % 16643020
NPT407 Cell Line COLO 205 Homo sapiens Activity = 35.79 % 16643020
NPT139 Cell Line HT-29 Homo sapiens Activity = 5.36 % 16643020
NPT139 Cell Line HT-29 Homo sapiens Activity = 6.81 % 16643020
NPT139 Cell Line HT-29 Homo sapiens Activity = 11.68 % 16643020
NPT139 Cell Line HT-29 Homo sapiens Activity = 9.26 % 16643020
NPT139 Cell Line HT-29 Homo sapiens Activity = 14.87 % 16643020
NPT116 Cell Line HL-60 Homo sapiens Activity = 4.05 % 16643020
NPT116 Cell Line HL-60 Homo sapiens Activity = 7.26 % 16643020
NPT116 Cell Line HL-60 Homo sapiens Activity = 4.37 % 16643020
NPT116 Cell Line HL-60 Homo sapiens Activity = 5.69 % 16643020
NPT116 Cell Line HL-60 Homo sapiens Activity = 22.19 % 16643020
NPT196 Cell Line AGS Homo sapiens Activity = 15.37 % 16643020
NPT196 Cell Line AGS Homo sapiens Activity = 17.28 % 16643020
NPT196 Cell Line AGS Homo sapiens Activity = 14.67 % 16643020
NPT196 Cell Line AGS Homo sapiens Activity = 14.84 % 16643020
NPT196 Cell Line AGS Homo sapiens Activity = 18.85 % 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 NPC218927 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
1.0 High Similarity NPC206001
0.988 High Similarity NPC136879
0.988 High Similarity NPC477302
0.9398 High Similarity NPC159635
0.8837 High Similarity NPC255307
0.875 High Similarity NPC277771
0.8736 High Similarity NPC305475
0.8736 High Similarity NPC475461
0.8721 High Similarity NPC114979
0.8721 High Similarity NPC191476
0.8667 High Similarity NPC186363
0.8667 High Similarity NPC233345
0.8621 High Similarity NPC165162
0.8605 High Similarity NPC473390
0.8605 High Similarity NPC131669
0.8587 High Similarity NPC183012
0.8511 High Similarity NPC216478
0.8506 High Similarity NPC96259
0.8506 High Similarity NPC476804
0.8506 High Similarity NPC295799
0.8506 High Similarity NPC141193
0.8488 Intermediate Similarity NPC229825
0.8391 Intermediate Similarity NPC169575
0.8391 Intermediate Similarity NPC40746
0.8372 Intermediate Similarity NPC24417
0.8352 Intermediate Similarity NPC469368
0.8333 Intermediate Similarity NPC7563
0.8333 Intermediate Similarity NPC320630
0.8333 Intermediate Similarity NPC116177
0.8315 Intermediate Similarity NPC150755
0.8315 Intermediate Similarity NPC250981
0.8298 Intermediate Similarity NPC284518
0.8295 Intermediate Similarity NPC158756
0.828 Intermediate Similarity NPC24861
0.8276 Intermediate Similarity NPC89555
0.8261 Intermediate Similarity NPC72845
0.8235 Intermediate Similarity NPC108816
0.8235 Intermediate Similarity NPC93763
0.8229 Intermediate Similarity NPC47024
0.8229 Intermediate Similarity NPC476299
0.8229 Intermediate Similarity NPC474012
0.8222 Intermediate Similarity NPC181103
0.8222 Intermediate Similarity NPC470012
0.8222 Intermediate Similarity NPC312561
0.8222 Intermediate Similarity NPC305029
0.8211 Intermediate Similarity NPC474343
0.8202 Intermediate Similarity NPC470755
0.8191 Intermediate Similarity NPC157686
0.8191 Intermediate Similarity NPC259042
0.8172 Intermediate Similarity NPC228451
0.8172 Intermediate Similarity NPC475912
0.8172 Intermediate Similarity NPC125674
0.8172 Intermediate Similarity NPC139692
0.8172 Intermediate Similarity NPC475838
0.8163 Intermediate Similarity NPC476237
0.8161 Intermediate Similarity NPC281949
0.8161 Intermediate Similarity NPC52861
0.8161 Intermediate Similarity NPC25684
0.8161 Intermediate Similarity NPC141810
0.8161 Intermediate Similarity NPC301477
0.8152 Intermediate Similarity NPC232426
0.8152 Intermediate Similarity NPC281942
0.8152 Intermediate Similarity NPC158488
0.8152 Intermediate Similarity NPC129419
0.8152 Intermediate Similarity NPC475855
0.8144 Intermediate Similarity NPC244456
0.8144 Intermediate Similarity NPC469657
0.8144 Intermediate Similarity NPC81530
0.814 Intermediate Similarity NPC167881
0.814 Intermediate Similarity NPC98557
0.814 Intermediate Similarity NPC470244
0.814 Intermediate Similarity NPC470239
0.8132 Intermediate Similarity NPC477128
0.8132 Intermediate Similarity NPC476805
0.8132 Intermediate Similarity NPC476803
0.8111 Intermediate Similarity NPC185638
0.8111 Intermediate Similarity NPC85698
0.8111 Intermediate Similarity NPC469910
0.8111 Intermediate Similarity NPC477920
0.8111 Intermediate Similarity NPC6979
0.8111 Intermediate Similarity NPC473226
0.8105 Intermediate Similarity NPC242848
0.8105 Intermediate Similarity NPC234993
0.8105 Intermediate Similarity NPC134072
0.8085 Intermediate Similarity NPC477129
0.8085 Intermediate Similarity NPC57117
0.8085 Intermediate Similarity NPC225474
0.8085 Intermediate Similarity NPC477130
0.8085 Intermediate Similarity NPC469596
0.8085 Intermediate Similarity NPC148000
0.8085 Intermediate Similarity NPC474247
0.8068 Intermediate Similarity NPC474252
0.8065 Intermediate Similarity NPC141831
0.8061 Intermediate Similarity NPC273005
0.8061 Intermediate Similarity NPC136289
0.8061 Intermediate Similarity NPC476081
0.8061 Intermediate Similarity NPC31058
0.8061 Intermediate Similarity NPC469606
0.8043 Intermediate Similarity NPC268298
0.8043 Intermediate Similarity NPC295312
0.8043 Intermediate Similarity NPC50488
0.8043 Intermediate Similarity NPC474396
0.8043 Intermediate Similarity NPC168131
0.8023 Intermediate Similarity NPC471465
0.8023 Intermediate Similarity NPC196653
0.8023 Intermediate Similarity NPC267231
0.8021 Intermediate Similarity NPC70145
0.8021 Intermediate Similarity NPC224356
0.8021 Intermediate Similarity NPC132753
0.8021 Intermediate Similarity NPC91695
0.8021 Intermediate Similarity NPC175351
0.8021 Intermediate Similarity NPC473963
0.8021 Intermediate Similarity NPC121402
0.8021 Intermediate Similarity NPC151681
0.802 Intermediate Similarity NPC189075
0.802 Intermediate Similarity NPC275539
0.8 Intermediate Similarity NPC14961
0.8 Intermediate Similarity NPC469607
0.8 Intermediate Similarity NPC36954
0.8 Intermediate Similarity NPC52628
0.8 Intermediate Similarity NPC477125
0.8 Intermediate Similarity NPC270013
0.8 Intermediate Similarity NPC304886
0.798 Intermediate Similarity NPC159533
0.7979 Intermediate Similarity NPC115021
0.7979 Intermediate Similarity NPC469645
0.7979 Intermediate Similarity NPC469692
0.7979 Intermediate Similarity NPC475302
0.7978 Intermediate Similarity NPC250315
0.7978 Intermediate Similarity NPC59097
0.7959 Intermediate Similarity NPC308824
0.7957 Intermediate Similarity NPC179394
0.7957 Intermediate Similarity NPC144133
0.7955 Intermediate Similarity NPC470241
0.7938 Intermediate Similarity NPC23364
0.7938 Intermediate Similarity NPC316598
0.7938 Intermediate Similarity NPC278386
0.7938 Intermediate Similarity NPC478056
0.7938 Intermediate Similarity NPC124512
0.7938 Intermediate Similarity NPC159763
0.7935 Intermediate Similarity NPC202672
0.7935 Intermediate Similarity NPC475819
0.7931 Intermediate Similarity NPC617
0.7931 Intermediate Similarity NPC89128
0.7931 Intermediate Similarity NPC19841
0.7921 Intermediate Similarity NPC143609
0.7921 Intermediate Similarity NPC110496
0.7921 Intermediate Similarity NPC187435
0.7921 Intermediate Similarity NPC67321
0.7917 Intermediate Similarity NPC279621
0.7917 Intermediate Similarity NPC154526
0.7917 Intermediate Similarity NPC476315
0.7917 Intermediate Similarity NPC472363
0.7917 Intermediate Similarity NPC202833
0.7917 Intermediate Similarity NPC472362
0.7917 Intermediate Similarity NPC93245
0.7917 Intermediate Similarity NPC230800
0.7917 Intermediate Similarity NPC473964
0.7912 Intermediate Similarity NPC329692
0.7912 Intermediate Similarity NPC9231
0.7907 Intermediate Similarity NPC187568
0.7907 Intermediate Similarity NPC97516
0.7907 Intermediate Similarity NPC141789
0.7907 Intermediate Similarity NPC41780
0.7907 Intermediate Similarity NPC171204
0.7907 Intermediate Similarity NPC476794
0.7907 Intermediate Similarity NPC476028
0.7907 Intermediate Similarity NPC470240
0.79 Intermediate Similarity NPC146731
0.79 Intermediate Similarity NPC296950
0.79 Intermediate Similarity NPC118911
0.7895 Intermediate Similarity NPC121825
0.7895 Intermediate Similarity NPC470697
0.7895 Intermediate Similarity NPC250075
0.7895 Intermediate Similarity NPC474035
0.7895 Intermediate Similarity NPC474338
0.7895 Intermediate Similarity NPC81386
0.7895 Intermediate Similarity NPC53685
0.7889 Intermediate Similarity NPC470011
0.7889 Intermediate Similarity NPC472326
0.7879 Intermediate Similarity NPC58329
0.7879 Intermediate Similarity NPC137430
0.7879 Intermediate Similarity NPC39996
0.7879 Intermediate Similarity NPC164551
0.7879 Intermediate Similarity NPC295791
0.7879 Intermediate Similarity NPC165250
0.7872 Intermediate Similarity NPC30515
0.7872 Intermediate Similarity NPC184463
0.7872 Intermediate Similarity NPC252433
0.7865 Intermediate Similarity NPC178676
0.7864 Intermediate Similarity NPC5103
0.7857 Intermediate Similarity NPC476303
0.7857 Intermediate Similarity NPC476274
0.7849 Intermediate Similarity NPC5509
0.7849 Intermediate Similarity NPC73995
0.7849 Intermediate Similarity NPC194642
0.7849 Intermediate Similarity NPC474032
0.7849 Intermediate Similarity NPC116620
0.7835 Intermediate Similarity NPC136781
0.7835 Intermediate Similarity NPC254496

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC218927 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
0.7938 Intermediate Similarity NPD4225 Approved
0.7609 Intermediate Similarity NPD1694 Approved
0.7449 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD7115 Discovery
0.7396 Intermediate Similarity NPD6698 Approved
0.7396 Intermediate Similarity NPD46 Approved
0.7391 Intermediate Similarity NPD7154 Phase 3
0.7327 Intermediate Similarity NPD7639 Approved
0.7327 Intermediate Similarity NPD7640 Approved
0.7245 Intermediate Similarity NPD6399 Phase 3
0.7245 Intermediate Similarity NPD5779 Approved
0.7245 Intermediate Similarity NPD5778 Approved
0.7228 Intermediate Similarity NPD7638 Approved
0.7216 Intermediate Similarity NPD5785 Approved
0.7129 Intermediate Similarity NPD7902 Approved
0.7103 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD5697 Approved
0.7065 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD5363 Approved
0.7037 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD5362 Discontinued
0.7009 Intermediate Similarity NPD6881 Approved
0.7009 Intermediate Similarity NPD6899 Approved
0.7 Intermediate Similarity NPD7748 Approved
0.6981 Remote Similarity NPD7128 Approved
0.6981 Remote Similarity NPD6675 Approved
0.6981 Remote Similarity NPD6402 Approved
0.6981 Remote Similarity NPD5739 Approved
0.6979 Remote Similarity NPD3618 Phase 1
0.6972 Remote Similarity NPD6649 Approved
0.6972 Remote Similarity NPD6650 Approved
0.697 Remote Similarity NPD7515 Phase 2
0.6944 Remote Similarity NPD6012 Approved
0.6944 Remote Similarity NPD6373 Approved
0.6944 Remote Similarity NPD6013 Approved
0.6944 Remote Similarity NPD6372 Approved
0.6944 Remote Similarity NPD6014 Approved
0.6939 Remote Similarity NPD6101 Approved
0.6939 Remote Similarity NPD1695 Approved
0.6939 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5344 Discontinued
0.6916 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6916 Remote Similarity NPD5701 Approved
0.6915 Remote Similarity NPD4269 Approved
0.6915 Remote Similarity NPD4270 Approved
0.6909 Remote Similarity NPD6053 Discontinued
0.6882 Remote Similarity NPD4822 Approved
0.6882 Remote Similarity NPD4819 Approved
0.6882 Remote Similarity NPD4821 Approved
0.6882 Remote Similarity NPD4820 Approved
0.6881 Remote Similarity NPD6371 Approved
0.6881 Remote Similarity NPD6883 Approved
0.6881 Remote Similarity NPD7290 Approved
0.6881 Remote Similarity NPD7102 Approved
0.6875 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6875 Remote Similarity NPD1733 Clinical (unspecified phase)
0.687 Remote Similarity NPD8516 Approved
0.687 Remote Similarity NPD8517 Approved
0.687 Remote Similarity NPD8513 Phase 3
0.687 Remote Similarity NPD8515 Approved
0.6869 Remote Similarity NPD7838 Discovery
0.6857 Remote Similarity NPD7632 Discontinued
0.6857 Remote Similarity NPD5211 Phase 2
0.6852 Remote Similarity NPD6686 Approved
0.6852 Remote Similarity NPD6011 Approved
0.6852 Remote Similarity NPD7320 Approved
0.6848 Remote Similarity NPD4271 Approved
0.6848 Remote Similarity NPD4268 Approved
0.6832 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6832 Remote Similarity NPD7900 Approved
0.6818 Remote Similarity NPD6869 Approved
0.6818 Remote Similarity NPD8130 Phase 1
0.6818 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6847 Approved
0.6818 Remote Similarity NPD6617 Approved
0.6804 Remote Similarity NPD5786 Approved
0.6804 Remote Similarity NPD4249 Approved
0.68 Remote Similarity NPD8034 Phase 2
0.68 Remote Similarity NPD6411 Approved
0.68 Remote Similarity NPD8035 Phase 2
0.68 Remote Similarity NPD7983 Approved
0.6771 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6759 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6757 Remote Similarity NPD8297 Approved
0.6757 Remote Similarity NPD6882 Approved
0.6737 Remote Similarity NPD3667 Approved
0.6737 Remote Similarity NPD6435 Approved
0.6735 Remote Similarity NPD4250 Approved
0.6735 Remote Similarity NPD4251 Approved
0.6731 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6729 Remote Similarity NPD5141 Approved
0.6702 Remote Similarity NPD4252 Approved
0.6667 Remote Similarity NPD5286 Approved
0.6667 Remote Similarity NPD6648 Approved
0.6667 Remote Similarity NPD5285 Approved
0.6667 Remote Similarity NPD6008 Approved
0.6667 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4696 Approved
0.6635 Remote Similarity NPD4755 Approved
0.6635 Remote Similarity NPD6084 Phase 2
0.6635 Remote Similarity NPD6083 Phase 2
0.6634 Remote Similarity NPD6079 Approved
0.6632 Remote Similarity NPD5369 Approved
0.6602 Remote Similarity NPD5695 Phase 3
0.66 Remote Similarity NPD5328 Approved
0.6598 Remote Similarity NPD4786 Approved
0.6583 Remote Similarity NPD8074 Phase 3
0.6579 Remote Similarity NPD6274 Approved
0.6571 Remote Similarity NPD5696 Approved
0.6569 Remote Similarity NPD4202 Approved
0.6559 Remote Similarity NPD4756 Discovery
0.6542 Remote Similarity NPD5226 Approved
0.6542 Remote Similarity NPD5224 Approved
0.6542 Remote Similarity NPD5225 Approved
0.6542 Remote Similarity NPD4633 Approved
0.6538 Remote Similarity NPD4697 Phase 3
0.6538 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6538 Remote Similarity NPD5222 Approved
0.6538 Remote Similarity NPD5221 Approved
0.6538 Remote Similarity NPD7839 Suspended
0.6531 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6526 Remote Similarity NPD5368 Approved
0.6522 Remote Similarity NPD8039 Approved
0.6518 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6509 Remote Similarity NPD4700 Approved
0.6505 Remote Similarity NPD5282 Discontinued
0.6495 Remote Similarity NPD5331 Approved
0.6495 Remote Similarity NPD5332 Approved
0.6481 Remote Similarity NPD5175 Approved
0.6481 Remote Similarity NPD5174 Approved
0.6476 Remote Similarity NPD5173 Approved
0.6465 Remote Similarity NPD7146 Approved
0.6465 Remote Similarity NPD6684 Approved
0.6465 Remote Similarity NPD5330 Approved
0.6465 Remote Similarity NPD7521 Approved
0.6465 Remote Similarity NPD7334 Approved
0.6465 Remote Similarity NPD6409 Approved
0.6458 Remote Similarity NPD4790 Discontinued
0.6449 Remote Similarity NPD5223 Approved
0.6442 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6441 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6429 Remote Similarity NPD3665 Phase 1
0.6429 Remote Similarity NPD3133 Approved
0.6429 Remote Similarity NPD3666 Approved
0.641 Remote Similarity NPD7101 Approved
0.641 Remote Similarity NPD7100 Approved
0.6404 Remote Similarity NPD4632 Approved
0.64 Remote Similarity NPD3573 Approved
0.6379 Remote Similarity NPD6317 Approved
0.6364 Remote Similarity NPD1696 Phase 3
0.6364 Remote Similarity NPD7507 Approved
0.6356 Remote Similarity NPD6319 Approved
0.6339 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6337 Remote Similarity NPD6903 Approved
0.6337 Remote Similarity NPD5737 Approved
0.6337 Remote Similarity NPD6672 Approved
0.6337 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6325 Remote Similarity NPD6314 Approved
0.6325 Remote Similarity NPD6335 Approved
0.6325 Remote Similarity NPD6313 Approved
0.6311 Remote Similarity NPD7637 Suspended
0.6311 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6311 Remote Similarity NPD5281 Approved
0.6311 Remote Similarity NPD5284 Approved
0.6311 Remote Similarity NPD5693 Phase 1
0.63 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6293 Remote Similarity NPD6868 Approved
0.6286 Remote Similarity NPD5210 Approved
0.6286 Remote Similarity NPD4629 Approved
0.6281 Remote Similarity NPD7492 Approved
0.6279 Remote Similarity NPD368 Approved
0.6275 Remote Similarity NPD5370 Suspended
0.6275 Remote Similarity NPD4753 Phase 2
0.6263 Remote Similarity NPD3668 Phase 3
0.625 Remote Similarity NPD5345 Clinical (unspecified phase)
0.625 Remote Similarity NPD2685 Clinical (unspecified phase)
0.625 Remote Similarity NPD4730 Approved
0.625 Remote Similarity NPD4729 Approved
0.625 Remote Similarity NPD5128 Approved
0.6239 Remote Similarity NPD6009 Approved
0.623 Remote Similarity NPD6616 Approved
0.6224 Remote Similarity NPD5209 Approved
0.6218 Remote Similarity NPD6054 Approved
0.6216 Remote Similarity NPD4768 Approved
0.6216 Remote Similarity NPD4767 Approved
0.621 Remote Similarity NPD7319 Approved
0.619 Remote Similarity NPD6001 Approved
0.6186 Remote Similarity NPD4695 Discontinued
0.6182 Remote Similarity NPD4754 Approved
0.6179 Remote Similarity NPD7078 Approved
0.6167 Remote Similarity NPD6015 Approved
0.6167 Remote Similarity NPD6908 Approved
0.6167 Remote Similarity NPD6016 Approved
0.6167 Remote Similarity NPD5983 Phase 2
0.6167 Remote Similarity NPD6909 Approved
0.6161 Remote Similarity NPD6412 Phase 2
0.614 Remote Similarity NPD5251 Approved
0.614 Remote Similarity NPD5247 Approved
0.614 Remote Similarity NPD5249 Phase 3

Structure

External Identifiers

PubChem CID   10063871
ChEMBL   CHEMBL274543
ZINC  

Physicochemical Properties

Molecular Weight:  308.16
ALogP:  0.366
MLogP:  2.78
XLogP:  1.177
# Rotatable Bonds:  10
Polar Surface Area:  72.83
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  22

Download Data

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Biological Activities  
Similar NPs/Drugs