Natural Product: NPC96603

Natural Product ID:  NPC96603
Common Name:   Laurifoline
IUPAC Name:   (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,9-diol
Synonyms:   Laurifoline
Molecular Formula:   C20H23NO4
Standard InCHIKey:  ZDVDVLRYVOZWMP-AWEZNQCLSA-O
Standard InCHI:  InChI=1S/C20H23NO4/c1-21(2)6-5-11-9-17(25-4)20(23)19-13-10-16(24-3)15(22)8-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1/t14-/m0/s1
Canonical SMILES:  COc1cc2c(cc1O)C[C@H]1c3c2c(O)c(OC)cc3CC[N+]1(C)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
NPO27646 Cystoseira baccata Species Sargassaceae Eukaryota UNPD*
NPO8601 Petrosia volcano Species Petrosiidae Eukaryota UNPD*
NPO9783 Mikania scandens Species Asteraceae Eukaryota UNPD*
NPO12367 Diospyros elliptifolia Species Ebenaceae Eukaryota UNPD*
NPO12591 Archaster typicus Species Archasteridae Eukaryota UNPD*
NPO27468 Rhizopogon roseolus Species Rhizopogonaceae Eukaryota UNPD*
NPO13042 Diospyros abyssinica Species Ebenaceae Eukaryota UNPD*
NPO5131 Scorzonera hispanica Species Asteraceae Eukaryota UNPD*
NPO13555 Beaucarnea recurvata Species Asparagaceae Eukaryota UNPD*
NPO27522 Gongronella urceolifera Species Cunninghamellaceae Eukaryota UNPD*
NPO27726 Diplocarpon mali Species Dermateaceae Eukaryota UNPD*
NPO12819 Clitocybe subilludens Species Tricholomataceae Eukaryota UNPD*
NPO27666 Sophora tetraptera Species Fabaceae Eukaryota UNPD*
NPO25388 Siliquariaspongia japonica NA NA NA UNPD*
NPO27931 Caulerpa taxifolia Species Caulerpaceae Eukaryota UNPD*
NPO22899 Phaeotremella fagi Species Phaeotremellaceae Eukaryota UNPD*
NPO27869 Bombacopsis glabra NA NA NA UNPD*
NPO9989 Cotylelobium scabriusculum Species Dipterocarpaceae Eukaryota UNPD*
NPO9553 Phyllodium pulchellum Species Fabaceae Eukaryota UNPD*
NPO9361 Aplophyllum villosum NA NA NA UNPD*
NPO4746 Centaurea arenaria Species Asteraceae Eukaryota UNPD*
NPO27976 Astragalus wootoni Species Fabaceae Eukaryota UNPD*
NPO12170 Solanum lasiocarpum Species Solanaceae Eukaryota UNPD*
NPO27739 Erythrina mildbraedii Species Fabaceae Eukaryota UNPD*
NPO12233 Diospyros peregrina Species Ebenaceae Eukaryota UNPD*
NPO27703 Eclipta erecta Species Cerambycidae Eukaryota UNPD*
NPO27838 Rebutia marsoneri Species Cactaceae Eukaryota UNPD*
NPO27216 Oreodaphne porosa NA NA NA UNPD*
NPO20751 Hypserpa nitida Species Menispermaceae Eukaryota PMID[17723297]
NPO1315 Sinomenium acutum Species Menispermaceae Eukaryota TM-MC*
NPO27686 Aglaia odorata Species Meliaceae Eukaryota UNPD*
NPO12773 Stephania tetrandra Species Menispermaceae Eukaryota TM-MC*
NPO1326 Cratystylis conocephala Species Asteraceae Eukaryota UNPD*
NPO10008 Tinospora capillipes Species Menispermaceae Eukaryota TM-MC*
NPO18354 Meiothermus ruber Species Thermaceae Bacteria UNPD*
NPO25734 Paratinospora sagittata Species Menispermaceae Eukaryota TM-MC*
NPO6386 Gutenbergia cordifolia Species Asteraceae Eukaryota UNPD*
NPO18237 Zanthoxylum elephantiasis Species Rutaceae Eukaryota TCMID*
NPO11333 Trapa japonica Species Lythraceae Eukaryota UNPD*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TCMID*
NPO7870 Zanthoxylum piperitum Species Rutaceae Eukaryota UNPD*
NPO23557 Zanthoxylum ailanthoides Species Rutaceae Eukaryota TCMID*
NPO27617 Phoenix dactylifera Species Arecaceae Eukaryota UNPD*
NPO27912 Cocculus laurifolius Species Menispermaceae Eukaryota TCMID*
NPO26332 Ramalina tumidula Species Ramalinaceae Eukaryota UNPD*
NPO27803 Cercidiphyllum japonicum Species Cercidiphyllaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified CC50 > 3684000 nM 17723297
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 > 3684000 nM 17723297

  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 NPC96603 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 NPC477563
1.0 High Similarity NPC306843
1.0 High Similarity NPC253043
1.0 High Similarity NPC212794
1.0 High Similarity NPC196447
1.0 High Similarity NPC136508
1.0 High Similarity NPC13504
1.0 High Similarity NPC78222
0.9934 High Similarity NPC324144
0.987 High Similarity NPC306555
0.987 High Similarity NPC12053
0.987 High Similarity NPC81218
0.987 High Similarity NPC474931
0.987 High Similarity NPC158376
0.987 High Similarity NPC145832
0.987 High Similarity NPC117188
0.987 High Similarity NPC205421
0.9682 High Similarity NPC239775
0.9675 High Similarity NPC1229
0.9673 High Similarity NPC27410
0.9673 High Similarity NPC166014
0.9618 High Similarity NPC26240
0.9618 High Similarity NPC69712
0.9618 High Similarity NPC477562
0.956 High Similarity NPC229166
0.956 High Similarity NPC128560
0.956 High Similarity NPC199465
0.9539 High Similarity NPC325871
0.9539 High Similarity NPC99659
0.9497 High Similarity NPC477020
0.9497 High Similarity NPC192135
0.9497 High Similarity NPC66341
0.9494 High Similarity NPC168753
0.9494 High Similarity NPC118274
0.9441 High Similarity NPC114364
0.9441 High Similarity NPC320223
0.9416 High Similarity NPC476572
0.9359 High Similarity NPC60186
0.9304 High Similarity NPC81247
0.9304 High Similarity NPC35627
0.9304 High Similarity NPC476573
0.9268 High Similarity NPC116284
0.9264 High Similarity NPC474507
0.9216 High Similarity NPC326316
0.9216 High Similarity NPC81733
0.9207 High Similarity NPC477561
0.9207 High Similarity NPC312918
0.9207 High Similarity NPC155442
0.9207 High Similarity NPC476574
0.9141 High Similarity NPC476577
0.9141 High Similarity NPC148709
0.9141 High Similarity NPC173416
0.9125 High Similarity NPC298979
0.9119 High Similarity NPC302527
0.9119 High Similarity NPC167546
0.9119 High Similarity NPC16805
0.9096 High Similarity NPC135772
0.9062 High Similarity NPC24264
0.9062 High Similarity NPC476432
0.9038 High Similarity NPC276588
0.9038 High Similarity NPC110416
0.9038 High Similarity NPC207757
0.9038 High Similarity NPC204828
0.9038 High Similarity NPC295691
0.9038 High Similarity NPC39701
0.9038 High Similarity NPC172765
0.9038 High Similarity NPC278799
0.9038 High Similarity NPC189266
0.9038 High Similarity NPC127674
0.9038 High Similarity NPC54379
0.9038 High Similarity NPC2413
0.9038 High Similarity NPC184026
0.9038 High Similarity NPC469817
0.9038 High Similarity NPC5238
0.9038 High Similarity NPC249797
0.9038 High Similarity NPC193949
0.9026 High Similarity NPC192768
0.9026 High Similarity NPC88249
0.9026 High Similarity NPC151895
0.9026 High Similarity NPC97221
0.9026 High Similarity NPC220858
0.902 High Similarity NPC428
0.902 High Similarity NPC246587
0.902 High Similarity NPC135538
0.902 High Similarity NPC24233
0.902 High Similarity NPC476571
0.902 High Similarity NPC147390
0.9006 High Similarity NPC247389
0.9006 High Similarity NPC210918
0.9 High Similarity NPC225774
0.9 High Similarity NPC24465
0.8994 High Similarity NPC82763
0.8981 High Similarity NPC186063
0.8961 High Similarity NPC477565
0.8961 High Similarity NPC103379
0.8954 High Similarity NPC321505
0.8954 High Similarity NPC191376
0.8954 High Similarity NPC179825
0.8944 High Similarity NPC13916
0.8944 High Similarity NPC264850
0.8944 High Similarity NPC219341
0.8935 High Similarity NPC476576
0.8935 High Similarity NPC186546
0.8922 High Similarity NPC248642
0.8916 High Similarity NPC126284
0.8889 High Similarity NPC478093
0.8889 High Similarity NPC204947
0.8876 High Similarity NPC320088
0.8869 High Similarity NPC156576
0.8861 High Similarity NPC203784
0.8861 High Similarity NPC170503
0.8861 High Similarity NPC126519
0.8848 High Similarity NPC477558
0.8841 High Similarity NPC149090
0.8841 High Similarity NPC19520
0.8837 High Similarity NPC473589
0.8837 High Similarity NPC478092
0.8837 High Similarity NPC30182
0.8837 High Similarity NPC478091
0.8831 High Similarity NPC476151
0.8824 High Similarity NPC185838
0.8812 High Similarity NPC160298
0.8812 High Similarity NPC232924
0.8812 High Similarity NPC266753
0.8812 High Similarity NPC477559
0.8812 High Similarity NPC306902
0.8802 High Similarity NPC32154
0.8797 High Similarity NPC244112
0.878 High Similarity NPC6152
0.8773 High Similarity NPC150879
0.8773 High Similarity NPC210140
0.8765 High Similarity NPC57036
0.872 High Similarity NPC83198
0.872 High Similarity NPC204908
0.8712 High Similarity NPC124657
0.8696 High Similarity NPC235143
0.8696 High Similarity NPC205167
0.8696 High Similarity NPC205255
0.8696 High Similarity NPC271388
0.8696 High Similarity NPC230956
0.8696 High Similarity NPC119649
0.8696 High Similarity NPC249274
0.8683 High Similarity NPC241704
0.8671 High Similarity NPC26601
0.8667 High Similarity NPC152212
0.8655 High Similarity NPC214116
0.865 High Similarity NPC276944
0.865 High Similarity NPC232514
0.865 High Similarity NPC238530
0.865 High Similarity NPC169743
0.865 High Similarity NPC134858
0.8647 High Similarity NPC33902
0.8647 High Similarity NPC276674
0.8642 High Similarity NPC80759
0.8642 High Similarity NPC79402
0.8634 High Similarity NPC221864
0.8634 High Similarity NPC111485
0.8631 High Similarity NPC118633
0.8631 High Similarity NPC148693
0.8631 High Similarity NPC294790
0.8623 High Similarity NPC329969
0.8616 High Similarity NPC2295
0.8616 High Similarity NPC477564
0.8614 High Similarity NPC231371
0.8608 High Similarity NPC277669
0.8608 High Similarity NPC76213
0.8605 High Similarity NPC275680
0.8605 High Similarity NPC22115
0.859 High Similarity NPC16107
0.859 High Similarity NPC210437
0.859 High Similarity NPC476144
0.859 High Similarity NPC106295
0.859 High Similarity NPC51957
0.8589 High Similarity NPC233650
0.858 High Similarity NPC220961
0.8571 High Similarity NPC128019
0.8571 High Similarity NPC476567
0.8571 High Similarity NPC136860
0.8563 High Similarity NPC78284
0.8563 High Similarity NPC152680
0.8563 High Similarity NPC190783
0.8563 High Similarity NPC232386
0.8562 High Similarity NPC213206
0.8562 High Similarity NPC188163
0.8562 High Similarity NPC470925
0.8562 High Similarity NPC474915
0.8562 High Similarity NPC328750
0.8535 High Similarity NPC7467
0.8535 High Similarity NPC130941
0.8529 High Similarity NPC286119
0.8521 High Similarity NPC190461
0.8506 High Similarity NPC475754
0.8497 Intermediate Similarity NPC314682
0.8494 Intermediate Similarity NPC241055
0.8488 Intermediate Similarity NPC16357
0.8488 Intermediate Similarity NPC302245
0.8488 Intermediate Similarity NPC95426
0.8485 Intermediate Similarity NPC240841
0.8485 Intermediate Similarity NPC42549
0.8485 Intermediate Similarity NPC250846

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC96603 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
0.8889 High Similarity NPD2420 Approved
0.8889 High Similarity NPD2421 Approved
0.8606 High Similarity NPD27 Approved
0.8606 High Similarity NPD2489 Approved
0.8598 High Similarity NPD3051 Approved
0.859 High Similarity NPD4584 Approved
0.8562 High Similarity NPD4664 Clinical (unspecified phase)
0.8545 High Similarity NPD2970 Approved
0.8545 High Similarity NPD2969 Approved
0.848 Intermediate Similarity NPD8053 Approved
0.848 Intermediate Similarity NPD8054 Approved
0.8439 Intermediate Similarity NPD7906 Approved
0.8314 Intermediate Similarity NPD4577 Approved
0.8314 Intermediate Similarity NPD7312 Approved
0.8314 Intermediate Similarity NPD4578 Approved
0.8314 Intermediate Similarity NPD7311 Approved
0.8314 Intermediate Similarity NPD7313 Approved
0.8314 Intermediate Similarity NPD7310 Approved
0.8276 Intermediate Similarity NPD4663 Approved
0.8274 Intermediate Similarity NPD2898 Approved
0.8266 Intermediate Similarity NPD7309 Approved
0.8263 Intermediate Similarity NPD4010 Discontinued
0.8171 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.8165 Intermediate Similarity NPD5241 Discontinued
0.8144 Intermediate Similarity NPD7201 Clinical (unspecified phase)
0.8113 Intermediate Similarity NPD3845 Phase 1
0.8113 Intermediate Similarity NPD2422 Clinical (unspecified phase)
0.807 Intermediate Similarity NPD8252 Approved
0.807 Intermediate Similarity NPD8251 Approved
0.807 Intermediate Similarity NPD8099 Discontinued
0.8059 Intermediate Similarity NPD4481 Phase 3
0.8034 Intermediate Similarity NPD2490 Approved
0.8034 Intermediate Similarity NPD2488 Approved
0.8024 Intermediate Similarity NPD7831 Phase 2
0.8024 Intermediate Similarity NPD7833 Phase 2
0.8024 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.8023 Intermediate Similarity NPD8156 Discontinued
0.8 Intermediate Similarity NPD7298 Approved
0.8 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7964 Intermediate Similarity NPD6788 Approved
0.7939 Intermediate Similarity NPD4773 Phase 2
0.7939 Intermediate Similarity NPD4772 Phase 2
0.7927 Intermediate Similarity NPD4017 Approved
0.7901 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7841 Intermediate Similarity NPD8453 Clinical (unspecified phase)
0.7838 Intermediate Similarity NPD3450 Approved
0.7838 Intermediate Similarity NPD2494 Approved
0.7838 Intermediate Similarity NPD2493 Approved
0.7838 Intermediate Similarity NPD3452 Approved
0.7836 Intermediate Similarity NPD6071 Discontinued
0.7805 Intermediate Similarity NPD3640 Phase 3
0.7805 Intermediate Similarity NPD3639 Approved
0.7805 Intermediate Similarity NPD3641 Approved
0.7798 Intermediate Similarity NPD2560 Approved
0.7798 Intermediate Similarity NPD2563 Approved
0.7756 Intermediate Similarity NPD3110 Approved
0.7756 Intermediate Similarity NPD3109 Approved
0.7751 Intermediate Similarity NPD4581 Clinical (unspecified phase)
0.7713 Intermediate Similarity NPD4583 Approved
0.7713 Intermediate Similarity NPD4582 Approved
0.7697 Intermediate Similarity NPD2971 Approved
0.7697 Intermediate Similarity NPD2968 Approved
0.7697 Intermediate Similarity NPD6030 Approved
0.7697 Intermediate Similarity NPD6031 Approved
0.7673 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7663 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD4002 Approved
0.766 Intermediate Similarity NPD4004 Approved
0.7625 Intermediate Similarity NPD1632 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD2973 Approved
0.7622 Intermediate Similarity NPD2974 Approved
0.7622 Intermediate Similarity NPD2975 Approved
0.7602 Intermediate Similarity NPD4055 Discovery
0.7564 Intermediate Similarity NPD5155 Approved
0.7564 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD5156 Approved
0.753 Intermediate Similarity NPD6090 Discontinued
0.7516 Intermediate Similarity NPD5718 Phase 2
0.75 Intermediate Similarity NPD3594 Approved
0.75 Intermediate Similarity NPD2605 Approved
0.75 Intermediate Similarity NPD5602 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7047 Phase 3
0.75 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2606 Approved
0.75 Intermediate Similarity NPD4580 Approved
0.75 Intermediate Similarity NPD3595 Approved
0.75 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD3060 Approved
0.7485 Intermediate Similarity NPD5177 Phase 3
0.7471 Intermediate Similarity NPD7802 Discontinued
0.7469 Intermediate Similarity NPD4726 Approved
0.7469 Intermediate Similarity NPD4725 Approved
0.7469 Intermediate Similarity NPD4721 Approved
0.7468 Intermediate Similarity NPD2674 Phase 3
0.7453 Intermediate Similarity NPD1753 Discontinued
0.745 Intermediate Similarity NPD6997 Phase 2
0.7436 Intermediate Similarity NPD3637 Approved
0.7436 Intermediate Similarity NPD3636 Approved
0.7436 Intermediate Similarity NPD3635 Approved
0.7435 Intermediate Similarity NPD4040 Phase 1
0.743 Intermediate Similarity NPD6297 Approved
0.7427 Intermediate Similarity NPD2978 Approved
0.7427 Intermediate Similarity NPD2977 Approved
0.7416 Intermediate Similarity NPD6042 Phase 2
0.7416 Intermediate Similarity NPD42 Phase 2
0.7396 Intermediate Similarity NPD4005 Discontinued
0.7394 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD6107 Approved
0.7365 Intermediate Similarity NPD1424 Approved
0.7362 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD4474 Approved
0.7358 Intermediate Similarity NPD4475 Approved
0.733 Intermediate Similarity NPD3448 Approved
0.733 Intermediate Similarity NPD2491 Approved
0.733 Intermediate Similarity NPD3057 Approved
0.7314 Intermediate Similarity NPD4666 Phase 3
0.7308 Intermediate Similarity NPD5917 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD3124 Discontinued
0.7296 Intermediate Similarity NPD3145 Approved
0.7296 Intermediate Similarity NPD3144 Approved
0.7284 Intermediate Similarity NPD6896 Approved
0.7284 Intermediate Similarity NPD6895 Approved
0.7278 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4236 Phase 3
0.7273 Intermediate Similarity NPD4237 Approved
0.7268 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD6851 Approved
0.7268 Intermediate Similarity NPD6853 Approved
0.7263 Intermediate Similarity NPD8095 Phase 1
0.7262 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD4123 Phase 3
0.7257 Intermediate Similarity NPD5709 Phase 3
0.7246 Intermediate Similarity NPD6667 Approved
0.7246 Intermediate Similarity NPD7124 Phase 2
0.7246 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD6666 Approved
0.724 Intermediate Similarity NPD2972 Approved
0.724 Intermediate Similarity NPD3533 Approved
0.7232 Intermediate Similarity NPD4166 Phase 2
0.7229 Intermediate Similarity NPD5754 Discontinued
0.7219 Intermediate Similarity NPD3647 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD4257 Approved
0.7212 Intermediate Similarity NPD4256 Phase 2
0.7209 Intermediate Similarity NPD6072 Discontinued
0.7202 Intermediate Similarity NPD7598 Phase 2
0.7193 Intermediate Similarity NPD6523 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD6688 Approved
0.7191 Intermediate Similarity NPD6687 Approved
0.7186 Intermediate Similarity NPD5160 Discontinued
0.7182 Intermediate Similarity NPD7479 Phase 2
0.7178 Intermediate Similarity NPD7718 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD4727 Phase 1
0.7176 Intermediate Similarity NPD5976 Discontinued
0.7172 Intermediate Similarity NPD7827 Phase 1
0.716 Intermediate Similarity NPD7447 Phase 1
0.7135 Intermediate Similarity NPD6747 Phase 1
0.7135 Intermediate Similarity NPD5087 Clinical (unspecified phase)
0.7127 Intermediate Similarity NPD4873 Discontinued
0.7127 Intermediate Similarity NPD5312 Approved
0.7127 Intermediate Similarity NPD5313 Approved
0.7126 Intermediate Similarity NPD6748 Discontinued
0.7126 Intermediate Similarity NPD5772 Approved
0.7126 Intermediate Similarity NPD5773 Approved
0.7124 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD4420 Approved
0.7118 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD7037 Approved
0.7102 Intermediate Similarity NPD5604 Discontinued
0.7101 Intermediate Similarity NPD7213 Phase 3
0.7101 Intermediate Similarity NPD7212 Phase 2
0.7099 Intermediate Similarity NPD2238 Phase 2
0.7089 Intermediate Similarity NPD3053 Approved
0.7089 Intermediate Similarity NPD3055 Approved
0.7086 Intermediate Similarity NPD5977 Approved
0.7086 Intermediate Similarity NPD5978 Approved
0.7083 Intermediate Similarity NPD3692 Discontinued
0.7081 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD4093 Discontinued
0.7076 Intermediate Similarity NPD1914 Approved
0.7076 Intermediate Similarity NPD2122 Discontinued
0.7074 Intermediate Similarity NPD6656 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD1669 Approved
0.7066 Intermediate Similarity NPD4162 Approved
0.7065 Intermediate Similarity NPD7549 Discontinued
0.7062 Intermediate Similarity NPD7400 Phase 3
0.7059 Intermediate Similarity NPD7907 Approved
0.7052 Intermediate Similarity NPD4675 Approved
0.7052 Intermediate Similarity NPD4678 Approved
0.7049 Intermediate Similarity NPD6996 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD6612 Phase 2
0.7047 Intermediate Similarity NPD4107 Approved
0.7035 Intermediate Similarity NPD5676 Approved
0.7029 Intermediate Similarity NPD4585 Approved
0.7024 Intermediate Similarity NPD6331 Phase 2
0.7022 Intermediate Similarity NPD5677 Discontinued
0.7013 Intermediate Similarity NPD5303 Approved
0.7013 Intermediate Similarity NPD5304 Approved
0.7012 Intermediate Similarity NPD823 Approved

Structure

External Identifiers

PubChem CID   12305611
ChEMBL   CHEMBL235429
ZINC  

Physicochemical Properties

Molecular Weight:  342.17
ALogP:  -1.9843
MLogP:  3.11
XLogP:  1.008
# Rotatable Bonds:  8
Polar Surface Area:  58.92
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  25

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs