Natural Product: NPC237540

Natural Product ID:  NPC237540
Common Name:   8-Deoxylactucin
IUPAC Name:   (3S,3aS,9aS,9bS)-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
Synonyms:   8-Deoxylactucin
Molecular Formula:   C15H18O4
Standard InCHIKey:  SNIFBMIPCYBVSS-LMVZTGKYSA-N
Standard InCHI:  InChI=1S/C15H18O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,8,10,13-14,16H,3-4,6H2,1-2H3/t8-,10-,13-,14-/m0/s1
Canonical SMILES:  OCC1=CC(=O)C2=C(C)CC[C@@H]3[C@@H]([C@@H]12)OC(=O)[C@H]3C
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
NPO8975 Aconitum nemorum Species Ranunculaceae Eukaryota UNPD*
NPO4151 Rhamnus wightii Species Rhamnaceae Eukaryota UNPD*
NPO245 Euphorbia biglandulosa Species Euphorbiaceae Eukaryota UNPD*
NPO13123 Balanophora harlandii Species Balanophoraceae Eukaryota UNPD*
NPO9865 Cichorium intybus Species Asteraceae Eukaryota PMID[25518943]
NPO4892 Viburnum davidii Species Adoxaceae Eukaryota UNPD*
NPO3927 Callyspongia fistularis Species Callyspongiidae Eukaryota UNPD*
NPO11801 Strychnos axillaris Species Loganiaceae Eukaryota UNPD*
NPO2465 Justicia glauca Species Acanthaceae Eukaryota UNPD*
NPO1584 Tolypothrix tjipanasensis Species Tolypothrichaceae Bacteria UNPD*
NPO8864 Ceratostomella fimbriata Species NA Eukaryota UNPD*
NPO2161 Strychnos ledermannii Species Loganiaceae Eukaryota UNPD*
NPO29531 Lupinus cosentinii Species Fabaceae Eukaryota UNPD*
NPO8076 Viburnum luzonicum Species Adoxaceae Eukaryota UNPD*
NPO9865 Cichorium intybus Species Asteraceae Eukaryota UNPD*
NPO6148 Aesculus glabra Species Hippocastanaceae Eukaryota UNPD*
NPO2264 Salvia mexicana Species Lamiaceae Eukaryota UNPD*
NPO13803 Neopetrosia exigua Species Petrosiidae Eukaryota UNPD*
NPO513 Agathosma scaberula Species Rutaceae Eukaryota UNPD*
NPO7872 Buxus madagascarica Species Buxaceae Eukaryota UNPD*
NPO9787 Krameria grayi Species Krameriaceae Eukaryota UNPD*
NPO2434 Lipotriche scandens Species Asteraceae Eukaryota UNPD*
NPO12407 Herba cichorii NA NA NA TCMID*
NPO17549 Polemonium caeruleum Species Polemoniaceae Eukaryota UNPD*
NPO11501 Carphephorus corymbosus Species Asteraceae Eukaryota UNPD*
NPO28557 Cacalia hastata Species Asteraceae Eukaryota UNPD*
NPO10533 Ixeris chinensis Species Asteraceae Eukaryota PMID[17067155]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 = 16100 nM 17067155
NPT81 Cell Line A549 Homo sapiens IC50 = 20100 nM 17067155
NPT81 Cell Line A549 Homo sapiens IC50 > 100000 nM 17067155
NPT1374 Cell Line WI-38 Homo sapiens IC50 = 2700 nM 17067155
NPT1475 Cell Line WI-38 VA13 Homo sapiens IC50 = 8500 nM 17067155
NPT2 Others Unspecified IC50 = 25000 nM 17067155

  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 NPC237540 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
0.9524 High Similarity NPC268298
0.9412 High Similarity NPC129419
0.939 High Similarity NPC165287
0.9024 High Similarity NPC470241
0.8824 High Similarity NPC78089
0.8824 High Similarity NPC165162
0.8795 High Similarity NPC255580
0.8795 High Similarity NPC39411
0.8765 High Similarity NPC195785
0.8765 High Similarity NPC15975
0.8721 High Similarity NPC107787
0.869 High Similarity NPC89555
0.8556 High Similarity NPC135776
0.8495 Intermediate Similarity NPC141191
0.8488 Intermediate Similarity NPC115786
0.8488 Intermediate Similarity NPC472957
0.8488 Intermediate Similarity NPC472958
0.8452 Intermediate Similarity NPC302426
0.8444 Intermediate Similarity NPC300312
0.8444 Intermediate Similarity NPC261607
0.8444 Intermediate Similarity NPC111114
0.8427 Intermediate Similarity NPC32922
0.8395 Intermediate Similarity NPC472966
0.8387 Intermediate Similarity NPC169205
0.837 Intermediate Similarity NPC275960
0.837 Intermediate Similarity NPC90121
0.837 Intermediate Similarity NPC193645
0.837 Intermediate Similarity NPC48803
0.837 Intermediate Similarity NPC304886
0.8353 Intermediate Similarity NPC10276
0.8353 Intermediate Similarity NPC35089
0.8333 Intermediate Similarity NPC470239
0.8333 Intermediate Similarity NPC470244
0.8295 Intermediate Similarity NPC475461
0.8295 Intermediate Similarity NPC305475
0.828 Intermediate Similarity NPC185553
0.8276 Intermediate Similarity NPC114979
0.8276 Intermediate Similarity NPC96259
0.8276 Intermediate Similarity NPC141193
0.8276 Intermediate Similarity NPC191476
0.8261 Intermediate Similarity NPC167219
0.8261 Intermediate Similarity NPC262133
0.8261 Intermediate Similarity NPC470010
0.8261 Intermediate Similarity NPC323008
0.8261 Intermediate Similarity NPC477131
0.8261 Intermediate Similarity NPC470013
0.8247 Intermediate Similarity NPC100487
0.8242 Intermediate Similarity NPC475925
0.8242 Intermediate Similarity NPC131209
0.8235 Intermediate Similarity NPC74673
0.8235 Intermediate Similarity NPC69271
0.8235 Intermediate Similarity NPC51507
0.8222 Intermediate Similarity NPC117405
0.8222 Intermediate Similarity NPC212664
0.8222 Intermediate Similarity NPC295312
0.8222 Intermediate Similarity NPC52198
0.8214 Intermediate Similarity NPC299235
0.8182 Intermediate Similarity NPC125290
0.8182 Intermediate Similarity NPC255307
0.8172 Intermediate Similarity NPC52044
0.8172 Intermediate Similarity NPC170120
0.8171 Intermediate Similarity NPC469641
0.8171 Intermediate Similarity NPC469643
0.8161 Intermediate Similarity NPC39588
0.814 Intermediate Similarity NPC52861
0.814 Intermediate Similarity NPC25684
0.814 Intermediate Similarity NPC281949
0.814 Intermediate Similarity NPC301477
0.8132 Intermediate Similarity NPC71533
0.8132 Intermediate Similarity NPC106510
0.8132 Intermediate Similarity NPC77337
0.8125 Intermediate Similarity NPC150923
0.8118 Intermediate Similarity NPC89128
0.8118 Intermediate Similarity NPC182550
0.8095 Intermediate Similarity NPC472014
0.8095 Intermediate Similarity NPC65603
0.809 Intermediate Similarity NPC309757
0.809 Intermediate Similarity NPC236692
0.8068 Intermediate Similarity NPC476804
0.8068 Intermediate Similarity NPC156485
0.8065 Intermediate Similarity NPC198853
0.8046 Intermediate Similarity NPC229825
0.8043 Intermediate Similarity NPC133698
0.8041 Intermediate Similarity NPC86077
0.8025 Intermediate Similarity NPC472955
0.8023 Intermediate Similarity NPC276356
0.8 Intermediate Similarity NPC161493
0.8 Intermediate Similarity NPC93763
0.8 Intermediate Similarity NPC108816
0.8 Intermediate Similarity NPC192006
0.798 Intermediate Similarity NPC243998
0.7979 Intermediate Similarity NPC67584
0.7979 Intermediate Similarity NPC213698
0.7978 Intermediate Similarity NPC161957
0.7978 Intermediate Similarity NPC28887
0.7955 Intermediate Similarity NPC473390
0.7955 Intermediate Similarity NPC169575
0.7955 Intermediate Similarity NPC128246
0.7955 Intermediate Similarity NPC131669
0.7955 Intermediate Similarity NPC40746
0.7935 Intermediate Similarity NPC37607
0.7935 Intermediate Similarity NPC469368
0.7935 Intermediate Similarity NPC301969
0.7931 Intermediate Similarity NPC126248
0.7931 Intermediate Similarity NPC24417
0.7917 Intermediate Similarity NPC221615
0.7912 Intermediate Similarity NPC190718
0.7912 Intermediate Similarity NPC91248
0.7912 Intermediate Similarity NPC476805
0.7901 Intermediate Similarity NPC144511
0.7901 Intermediate Similarity NPC296522
0.7895 Intermediate Similarity NPC213078
0.7889 Intermediate Similarity NPC150755
0.7889 Intermediate Similarity NPC67493
0.7882 Intermediate Similarity NPC470240
0.7882 Intermediate Similarity NPC7563
0.7882 Intermediate Similarity NPC116177
0.7882 Intermediate Similarity NPC320630
0.7882 Intermediate Similarity NPC476794
0.7879 Intermediate Similarity NPC203659
0.7872 Intermediate Similarity NPC127019
0.7872 Intermediate Similarity NPC96541
0.7865 Intermediate Similarity NPC82297
0.7865 Intermediate Similarity NPC295799
0.7857 Intermediate Similarity NPC138408
0.7857 Intermediate Similarity NPC226669
0.7857 Intermediate Similarity NPC193351
0.7849 Intermediate Similarity NPC284185
0.7849 Intermediate Similarity NPC70595
0.7849 Intermediate Similarity NPC74103
0.7849 Intermediate Similarity NPC150978
0.7849 Intermediate Similarity NPC123177
0.7841 Intermediate Similarity NPC173609
0.7831 Intermediate Similarity NPC472956
0.7826 Intermediate Similarity NPC477215
0.7826 Intermediate Similarity NPC476388
0.7826 Intermediate Similarity NPC12872
0.7826 Intermediate Similarity NPC168679
0.7816 Intermediate Similarity NPC223904
0.7812 Intermediate Similarity NPC474343
0.7802 Intermediate Similarity NPC160138
0.7802 Intermediate Similarity NPC72513
0.7802 Intermediate Similarity NPC118601
0.78 Intermediate Similarity NPC166115
0.78 Intermediate Similarity NPC223450
0.7791 Intermediate Similarity NPC196653
0.7791 Intermediate Similarity NPC471465
0.7791 Intermediate Similarity NPC476627
0.7778 Intermediate Similarity NPC33570
0.7778 Intermediate Similarity NPC110989
0.7778 Intermediate Similarity NPC21471
0.7778 Intermediate Similarity NPC470755
0.7766 Intermediate Similarity NPC125674
0.7766 Intermediate Similarity NPC295204
0.7766 Intermediate Similarity NPC475912
0.7766 Intermediate Similarity NPC475302
0.7766 Intermediate Similarity NPC288240
0.7766 Intermediate Similarity NPC469645
0.7766 Intermediate Similarity NPC162205
0.7766 Intermediate Similarity NPC228451
0.7766 Intermediate Similarity NPC469692
0.7766 Intermediate Similarity NPC273579
0.7766 Intermediate Similarity NPC81419
0.7766 Intermediate Similarity NPC475838
0.7766 Intermediate Similarity NPC179746
0.7765 Intermediate Similarity NPC472959
0.7765 Intermediate Similarity NPC472967
0.7765 Intermediate Similarity NPC279537
0.7765 Intermediate Similarity NPC266159
0.7755 Intermediate Similarity NPC110443
0.7755 Intermediate Similarity NPC133907
0.7755 Intermediate Similarity NPC46998
0.7755 Intermediate Similarity NPC171759
0.7755 Intermediate Similarity NPC477950
0.7755 Intermediate Similarity NPC128733
0.7755 Intermediate Similarity NPC185141
0.7753 Intermediate Similarity NPC52609
0.7753 Intermediate Similarity NPC59097
0.7753 Intermediate Similarity NPC215294
0.7753 Intermediate Similarity NPC1761
0.7742 Intermediate Similarity NPC179394
0.7742 Intermediate Similarity NPC475855
0.7742 Intermediate Similarity NPC253144
0.7742 Intermediate Similarity NPC144133
0.7742 Intermediate Similarity NPC62815
0.7727 Intermediate Similarity NPC325031
0.7717 Intermediate Similarity NPC217983
0.7717 Intermediate Similarity NPC136879
0.7717 Intermediate Similarity NPC207114
0.7717 Intermediate Similarity NPC178875
0.7717 Intermediate Similarity NPC476803
0.7717 Intermediate Similarity NPC202672
0.7711 Intermediate Similarity NPC29328
0.7708 Intermediate Similarity NPC24956
0.7708 Intermediate Similarity NPC18019
0.7701 Intermediate Similarity NPC167881
0.7701 Intermediate Similarity NPC264227
0.7701 Intermediate Similarity NPC98557
0.7701 Intermediate Similarity NPC472965
0.7701 Intermediate Similarity NPC472013

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC237540 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
0.837 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7955 Intermediate Similarity NPD5362 Discontinued
0.7778 Intermediate Similarity NPD5363 Approved
0.7753 Intermediate Similarity NPD7154 Phase 3
0.7692 Intermediate Similarity NPD5786 Approved
0.764 Intermediate Similarity NPD4270 Approved
0.764 Intermediate Similarity NPD4269 Approved
0.7553 Intermediate Similarity NPD5785 Approved
0.7447 Intermediate Similarity NPD1695 Approved
0.7444 Intermediate Similarity NPD6435 Approved
0.7416 Intermediate Similarity NPD4252 Approved
0.7416 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD5369 Approved
0.7333 Intermediate Similarity NPD6371 Approved
0.7312 Intermediate Similarity NPD4249 Approved
0.7234 Intermediate Similarity NPD4251 Approved
0.7234 Intermediate Similarity NPD4250 Approved
0.7222 Intermediate Similarity NPD4820 Approved
0.7222 Intermediate Similarity NPD4819 Approved
0.7222 Intermediate Similarity NPD5368 Approved
0.7222 Intermediate Similarity NPD4821 Approved
0.7222 Intermediate Similarity NPD4822 Approved
0.7204 Intermediate Similarity NPD6082 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD4268 Approved
0.7191 Intermediate Similarity NPD4271 Approved
0.7174 Intermediate Similarity NPD5331 Approved
0.7174 Intermediate Similarity NPD5332 Approved
0.7143 Intermediate Similarity NPD5282 Discontinued
0.7143 Intermediate Similarity NPD4790 Discontinued
0.7041 Intermediate Similarity NPD5779 Approved
0.7041 Intermediate Similarity NPD5778 Approved
0.7041 Intermediate Similarity NPD6399 Phase 3
0.7021 Intermediate Similarity NPD1694 Approved
0.701 Intermediate Similarity NPD6698 Approved
0.701 Intermediate Similarity NPD46 Approved
0.6939 Remote Similarity NPD7983 Approved
0.6881 Remote Similarity NPD6053 Discontinued
0.6863 Remote Similarity NPD4225 Approved
0.6735 Remote Similarity NPD6101 Approved
0.6735 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6702 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7320 Approved
0.6667 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6402 Approved
0.6636 Remote Similarity NPD7128 Approved
0.6636 Remote Similarity NPD5739 Approved
0.6636 Remote Similarity NPD6008 Approved
0.6636 Remote Similarity NPD6675 Approved
0.6635 Remote Similarity NPD7640 Approved
0.6635 Remote Similarity NPD7639 Approved
0.6633 Remote Similarity NPD6903 Approved
0.6606 Remote Similarity NPD6372 Approved
0.6606 Remote Similarity NPD6373 Approved
0.6602 Remote Similarity NPD6084 Phase 2
0.6602 Remote Similarity NPD7902 Approved
0.6602 Remote Similarity NPD6083 Phase 2
0.66 Remote Similarity NPD6411 Approved
0.6598 Remote Similarity NPD7334 Approved
0.6598 Remote Similarity NPD3618 Phase 1
0.6598 Remote Similarity NPD6409 Approved
0.6598 Remote Similarity NPD5330 Approved
0.6598 Remote Similarity NPD7146 Approved
0.6598 Remote Similarity NPD6684 Approved
0.6598 Remote Similarity NPD7521 Approved
0.6574 Remote Similarity NPD5697 Approved
0.6574 Remote Similarity NPD5701 Approved
0.6569 Remote Similarity NPD5695 Phase 3
0.6566 Remote Similarity NPD5370 Suspended
0.6562 Remote Similarity NPD3133 Approved
0.6562 Remote Similarity NPD3665 Phase 1
0.6562 Remote Similarity NPD3666 Approved
0.6538 Remote Similarity NPD5696 Approved
0.6538 Remote Similarity NPD7638 Approved
0.6526 Remote Similarity NPD5209 Approved
0.6526 Remote Similarity NPD3667 Approved
0.6522 Remote Similarity NPD4756 Discovery
0.6514 Remote Similarity NPD6881 Approved
0.6514 Remote Similarity NPD6899 Approved
0.6514 Remote Similarity NPD6011 Approved
0.6505 Remote Similarity NPD7839 Suspended
0.65 Remote Similarity NPD7838 Discovery
0.6491 Remote Similarity NPD7115 Discovery
0.6486 Remote Similarity NPD6649 Approved
0.6486 Remote Similarity NPD6650 Approved
0.6471 Remote Similarity NPD7748 Approved
0.6465 Remote Similarity NPD6672 Approved
0.6465 Remote Similarity NPD5737 Approved
0.6465 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6455 Remote Similarity NPD6013 Approved
0.6455 Remote Similarity NPD6014 Approved
0.6455 Remote Similarity NPD6012 Approved
0.6436 Remote Similarity NPD5281 Approved
0.6436 Remote Similarity NPD7515 Phase 2
0.6436 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6436 Remote Similarity NPD5284 Approved
0.6436 Remote Similarity NPD7637 Suspended
0.6429 Remote Similarity NPD5279 Phase 3
0.6408 Remote Similarity NPD6356 Clinical (unspecified phase)
0.64 Remote Similarity NPD5328 Approved
0.6396 Remote Similarity NPD7102 Approved
0.6396 Remote Similarity NPD7290 Approved
0.6396 Remote Similarity NPD6883 Approved
0.6392 Remote Similarity NPD4786 Approved
0.6381 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6686 Approved
0.6355 Remote Similarity NPD5211 Phase 2
0.6354 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6346 Remote Similarity NPD4697 Phase 3
0.6339 Remote Similarity NPD6617 Approved
0.6339 Remote Similarity NPD8130 Phase 1
0.6339 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6339 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6339 Remote Similarity NPD6847 Approved
0.6339 Remote Similarity NPD6869 Approved
0.6337 Remote Similarity NPD5207 Approved
0.6327 Remote Similarity NPD1696 Phase 3
0.6322 Remote Similarity NPD7331 Phase 2
0.6311 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6311 Remote Similarity NPD7900 Approved
0.6296 Remote Similarity NPD6647 Phase 2
0.6289 Remote Similarity NPD6110 Phase 1
0.6286 Remote Similarity NPD4755 Approved
0.6283 Remote Similarity NPD8297 Approved
0.6283 Remote Similarity NPD6882 Approved
0.6275 Remote Similarity NPD6079 Approved
0.6271 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6263 Remote Similarity NPD4519 Discontinued
0.6263 Remote Similarity NPD4623 Approved
0.6239 Remote Similarity NPD5141 Approved
0.6238 Remote Similarity NPD4753 Phase 2
0.6224 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6214 Remote Similarity NPD4202 Approved
0.6207 Remote Similarity NPD7341 Phase 2
0.6207 Remote Similarity NPD2685 Clinical (unspecified phase)
0.619 Remote Similarity NPD5220 Clinical (unspecified phase)
0.619 Remote Similarity NPD5221 Approved
0.619 Remote Similarity NPD5222 Approved
0.6168 Remote Similarity NPD5285 Approved
0.6168 Remote Similarity NPD5286 Approved
0.6168 Remote Similarity NPD4696 Approved
0.6168 Remote Similarity NPD4700 Approved
0.6154 Remote Similarity NPD6001 Approved
0.6146 Remote Similarity NPD4695 Discontinued
0.6132 Remote Similarity NPD5173 Approved
0.6126 Remote Similarity NPD6412 Phase 2
0.6121 Remote Similarity NPD6274 Approved
0.6117 Remote Similarity NPD8035 Phase 2
0.6117 Remote Similarity NPD5693 Phase 1
0.6117 Remote Similarity NPD8034 Phase 2
0.6111 Remote Similarity NPD5223 Approved
0.6111 Remote Similarity NPD5344 Discontinued
0.6106 Remote Similarity NPD6420 Discontinued
0.61 Remote Similarity NPD6422 Discontinued
0.6095 Remote Similarity NPD5210 Approved
0.6095 Remote Similarity NPD4629 Approved
0.6087 Remote Similarity NPD4632 Approved
0.6078 Remote Similarity NPD6080 Approved
0.6078 Remote Similarity NPD6673 Approved
0.6078 Remote Similarity NPD6904 Approved
0.6068 Remote Similarity NPD6317 Approved
0.6067 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6061 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6061 Remote Similarity NPD3668 Phase 3
0.6055 Remote Similarity NPD7632 Discontinued
0.6055 Remote Similarity NPD5225 Approved
0.6055 Remote Similarity NPD5226 Approved
0.6055 Remote Similarity NPD5224 Approved
0.6055 Remote Similarity NPD4633 Approved
0.6047 Remote Similarity NPD368 Approved
0.602 Remote Similarity NPD4223 Phase 3
0.602 Remote Similarity NPD4221 Approved
0.6019 Remote Similarity NPD5692 Phase 3
0.6017 Remote Similarity NPD6313 Approved
0.6017 Remote Similarity NPD6335 Approved
0.6017 Remote Similarity NPD6314 Approved
0.6 Remote Similarity NPD8516 Approved
0.6 Remote Similarity NPD8515 Approved
0.6 Remote Similarity NPD4754 Approved
0.6 Remote Similarity NPD5175 Approved
0.6 Remote Similarity NPD5174 Approved
0.6 Remote Similarity NPD8517 Approved
0.6 Remote Similarity NPD8513 Phase 3
0.5984 Remote Similarity NPD7492 Approved
0.5983 Remote Similarity NPD6868 Approved
0.598 Remote Similarity NPD5208 Approved
0.5966 Remote Similarity NPD7100 Approved
0.5966 Remote Similarity NPD7101 Approved
0.5962 Remote Similarity NPD6050 Approved
0.5962 Remote Similarity NPD5694 Approved
0.596 Remote Similarity NPD6695 Phase 3
0.5957 Remote Similarity NPD8039 Approved
0.5955 Remote Similarity NPD3704 Approved
0.5941 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5935 Remote Similarity NPD7507 Approved
0.5935 Remote Similarity NPD6616 Approved
0.5932 Remote Similarity NPD6009 Approved
0.593 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5922 Remote Similarity NPD7285 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   14163574
ChEMBL   CHEMBL448636
ZINC  

Physicochemical Properties

Molecular Weight:  262.12
ALogP:  0.2059
MLogP:  2.67
XLogP:  -0.117
# Rotatable Bonds:  4
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  19

Download Data

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Biological Activities  
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