Natural Product: NPC147390

Natural Product ID:  NPC147390
Common Name:   (S)-Reticuline
IUPAC Name:   (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Synonyms:   (+)-Reticuline; (S)-Reticuline; L-(+)-Reticuline; Reticuline; S-Reticuline
Molecular Formula:   C19H23NO4
Standard InCHIKey:  BHLYRWXGMIUIHG-HNNXBMFYSA-N
Standard InCHI:  InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1
Canonical SMILES:  COc1ccc(cc1O)C[C@@H]1N(C)CCc2c1cc(O)c(c2)OC
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
NPO26332 Ramalina tumidula Species Ramalinaceae Eukaryota UNPD*
NPO22825 Pleurocybella porrigens Species Tricholomataceae Eukaryota UNPD*
NPO27216 Oreodaphne porosa NA NA NA UNPD*
NPO27666 Sophora tetraptera Species Fabaceae Eukaryota UNPD*
NPO27931 Caulerpa taxifolia Species Caulerpaceae Eukaryota UNPD*
NPO27686 Aglaia odorata Species Meliaceae Eukaryota UNPD*
NPO10176 Chrozophora prostrata Species Euphorbiaceae Eukaryota UNPD*
NPO9498 Papaver somniferum Species Papaveraceae Eukaryota UNPD*
NPO27739 Erythrina mildbraedii Species Fabaceae Eukaryota UNPD*
NPO27976 Astragalus wootoni Species Fabaceae Eukaryota UNPD*
NPO20818 Lactarius subumbonatus Species Russulaceae Eukaryota UNPD*
NPO29589 Linderae radix NA NA NA TCMSP*
NPO27803 Cercidiphyllum japonicum Species Cercidiphyllaceae Eukaryota UNPD*
NPO29665 Papaveris pericarpium NA NA NA TCMSP*
NPO2466 Aloe microstigma Species Asphodelaceae Eukaryota UNPD*
NPO12170 Solanum lasiocarpum Species Solanaceae Eukaryota UNPD*
NPO20751 Hypserpa nitida Species Menispermaceae Eukaryota PMID[17723297]
NPO4682 Lindera aggregata Species Lauraceae Eukaryota TM-MC*
NPO32610 nectandra salicifolia Species Lauraceae Eukaryota trunk bark lower montane rainforest in Costa Rica PMID[8786363]
NPO13346 Lindera strichnifolia Species Tineidae Eukaryota TM-MC*
NPO22151 Stephania pierrei Species Menispermaceae Eukaryota tubers PMID[8254346]
NPO11791 Magnolia obovata Species Magnoliaceae Eukaryota TM-MC*
NPO4368 Magnolia officinalis Species Magnoliaceae Eukaryota TM-MC*
NPO27617 Phoenix dactylifera Species Arecaceae Eukaryota UNPD*
NPO10008 Tinospora capillipes Species Menispermaceae Eukaryota TM-MC*
NPO25345 Corydalis ternata Species Papaveraceae Eukaryota tubers PMID[20594848]
NPO25734 Paratinospora sagittata Species Menispermaceae Eukaryota TM-MC*
NPO25388 Siliquariaspongia japonica NA NA NA UNPD*
NPO13637 Thalictrum foliolosum Species Ranunculaceae Eukaryota TCM_Taiwan*
NPO22391 Tripterygium forrestii Species Celastraceae Eukaryota UNPD*
NPO27912 Cocculus laurifolius Species Menispermaceae Eukaryota TCM_Taiwan*
NPO27726 Diplocarpon mali Species Dermateaceae Eukaryota UNPD*
NPO2884 Annona squamosa Species Annonaceae Eukaryota TCM_Taiwan*
NPO27838 Rebutia marsoneri Species Cactaceae Eukaryota UNPD*
NPO18354 Meiothermus ruber Species Thermaceae Bacteria UNPD*
NPO29868 Dicentra spectabilis Species Papaveraceae Eukaryota TCM_Taiwan*
NPO9646 Crotalaria pallida Species Fabaceae Eukaryota UNPD*
NPO6328 Corydalis incisa Species Papaveraceae Eukaryota TCM_Taiwan*
NPO27869 Bombacopsis glabra NA NA NA UNPD*
NPO6333 Annona glabra Species Annonaceae Eukaryota stem wood DOI[10.1021/np100247r]
NPO20366 Fontinalis antipyretica Species Fontinalaceae Eukaryota UNPD*
NPO6701 Cinnamomum camphora Species Lauraceae Eukaryota TCM_Taiwan*
NPO17482 Menispermum dahuricum Species Menispermaceae Eukaryota UNPD*
NPO9498 Papaver somniferum Species Papaveraceae Eukaryota TCM_Taiwan*
NPO19112 Evolvulus nummularius Species Convolvulaceae Eukaryota UNPD*
NPO9632 Annona reticulata Species Annonaceae Eukaryota TCM_Taiwan*
NPO27522 Gongronella urceolifera Species Cunninghamellaceae Eukaryota UNPD*
NPO27703 Eclipta erecta Species Cerambycidae Eukaryota UNPD*
NPO27646 Cystoseira baccata Species Sargassaceae Eukaryota UNPD*
NPO17204 Helminthosporium avenae Species Massarinaceae Eukaryota UNPD*
NPO7312 Aplidium multiplicatum Species Polyclinidae Eukaryota UNPD*
NPO27468 Rhizopogon roseolus Species Rhizopogonaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified CC50 = 1909000 nM 17723297
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 = 2143000 nM 17723297
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 > 2994000 nM 17723297
NPT2 Others Unspecified Ratio CC50/IC50 < 1 17723297
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 5.8 ug/ml 8786363
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 3.65 ug/ml 8786363
NPT2 Others Unspecified Activity = 58.7 % 8778245
NPT2 Others Unspecified Activity = 39.2 % 8778245
NPT2 Others Unspecified Activity = 84.2 % 8778245
NPT2 Others Unspecified Activity = 85.9 % 8778245
NPT177 Tissue Aorta Rattus norvegicus Activity = 109.3 % 8778245
NPT177 Tissue Aorta Rattus norvegicus Activity = 100 % 8778245
NPT177 Tissue Aorta Rattus norvegicus Activity = 110.5 % 8778245
NPT6 Organism Plasmodium falciparum Plasmodium falciparum ED50 = 4.05 ug/ml 8254346
NPT6 Organism Plasmodium falciparum Plasmodium falciparum ED50 = 4.47 ug/ml 8254346
NPT32 Organism Mus musculus Mus musculus Activity = 23.7 min 10.1021/np50004a007
NPT32 Organism Mus musculus Mus musculus Activity = 56.2 min 10.1021/np50004a007
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.36 degrees C 10.1021/np50004a007
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.69 degrees C 10.1021/np50004a007
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 1.1 degrees C 10.1021/np50004a007
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 7.8 s 10.1021/np50004a007
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 11.9 s 10.1021/np50004a007
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 60 % 10.1021/np50004a007
NPT32 Organism Mus musculus Mus musculus LD50 = 56 mg/kg 10.1021/np50004a007
NPT81 Cell Line A549 Homo sapiens IC50 > 30000 nM 20594848
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 > 30000 nM 20594848
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 > 30000 nM 20594848
NPT148 Cell Line HCT-15 Homo sapiens IC50 = 29440 nM 20594848
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 57.2 % 10.1007/s00044-008-9122-3
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 32 ug/ml 25372601
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 52.96 % 27492195
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = 84.07 % 27492195
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus IC50 = 301010 nM 27492195
NPT67 Individual Protein Cholinesterase Equus caballus IC50 = 65040 nM 27492195
NPT2 Others Unspecified Ratio IC50 = 0.22 27492195
NPT2 Others Unspecified Ratio IC50 = 4.63 27492195

  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 NPC147390 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 NPC428
1.0 High Similarity NPC24233
1.0 High Similarity NPC135538
1.0 High Similarity NPC476571
1.0 High Similarity NPC246587
0.9928 High Similarity NPC321505
0.9928 High Similarity NPC191376
0.9928 High Similarity NPC179825
0.9784 High Similarity NPC185838
0.9718 High Similarity NPC151895
0.9718 High Similarity NPC97221
0.9718 High Similarity NPC88249
0.9718 High Similarity NPC220858
0.9718 High Similarity NPC192768
0.9648 High Similarity NPC477565
0.9648 High Similarity NPC103379
0.9586 High Similarity NPC276588
0.9586 High Similarity NPC2413
0.9586 High Similarity NPC249797
0.9586 High Similarity NPC5238
0.9586 High Similarity NPC39701
0.9586 High Similarity NPC204828
0.9586 High Similarity NPC295691
0.9586 High Similarity NPC207757
0.9586 High Similarity NPC110416
0.9586 High Similarity NPC54379
0.9586 High Similarity NPC278799
0.9586 High Similarity NPC469817
0.9586 High Similarity NPC172765
0.9586 High Similarity NPC127674
0.9586 High Similarity NPC184026
0.9586 High Similarity NPC193949
0.9586 High Similarity NPC189266
0.9514 High Similarity NPC76213
0.9514 High Similarity NPC277669
0.9507 High Similarity NPC476151
0.9496 High Similarity NPC474915
0.9496 High Similarity NPC213206
0.9496 High Similarity NPC328750
0.9496 High Similarity NPC188163
0.9424 High Similarity NPC314682
0.9375 High Similarity NPC60538
0.9375 High Similarity NPC207824
0.9262 High Similarity NPC111485
0.9252 High Similarity NPC2295
0.9252 High Similarity NPC477564
0.9225 High Similarity NPC136860
0.9225 High Similarity NPC128019
0.9225 High Similarity NPC476567
0.9209 High Similarity NPC301050
0.9209 High Similarity NPC131204
0.92 High Similarity NPC166014
0.92 High Similarity NPC27410
0.9184 High Similarity NPC82285
0.9184 High Similarity NPC133011
0.9145 High Similarity NPC238530
0.9145 High Similarity NPC232514
0.9145 High Similarity NPC276944
0.9128 High Similarity NPC147091
0.9103 High Similarity NPC16107
0.9103 High Similarity NPC210437
0.9103 High Similarity NPC51957
0.9103 High Similarity NPC106295
0.9103 High Similarity NPC476144
0.9085 High Similarity NPC42549
0.9085 High Similarity NPC317272
0.9085 High Similarity NPC256012
0.9085 High Similarity NPC240841
0.9085 High Similarity NPC268503
0.9085 High Similarity NPC250846
0.9085 High Similarity NPC264850
0.9085 High Similarity NPC13916
0.9079 High Similarity NPC324144
0.9054 High Similarity NPC37272
0.9041 High Similarity NPC7467
0.9041 High Similarity NPC475959
0.9028 High Similarity NPC294249
0.9026 High Similarity NPC145832
0.9026 High Similarity NPC474931
0.9026 High Similarity NPC81218
0.9026 High Similarity NPC158376
0.9026 High Similarity NPC306555
0.9026 High Similarity NPC117188
0.9026 High Similarity NPC205421
0.9026 High Similarity NPC12053
0.902 High Similarity NPC136508
0.902 High Similarity NPC13504
0.902 High Similarity NPC24465
0.902 High Similarity NPC196447
0.902 High Similarity NPC4138
0.902 High Similarity NPC284183
0.902 High Similarity NPC306843
0.902 High Similarity NPC96603
0.902 High Similarity NPC253043
0.902 High Similarity NPC78222
0.902 High Similarity NPC212794
0.902 High Similarity NPC121275
0.902 High Similarity NPC477563
0.9 High Similarity NPC186063
0.8968 High Similarity NPC83198
0.8968 High Similarity NPC204908
0.8947 High Similarity NPC205167
0.8919 High Similarity NPC274026
0.8903 High Similarity NPC210140
0.8889 High Similarity NPC60186
0.8846 High Similarity NPC66573
0.8839 High Similarity NPC476573
0.8839 High Similarity NPC81247
0.8839 High Similarity NPC35627
0.8831 High Similarity NPC1229
0.8824 High Similarity NPC249274
0.8816 High Similarity NPC475326
0.88 High Similarity NPC26601
0.8797 High Similarity NPC152680
0.8797 High Similarity NPC232386
0.8797 High Similarity NPC190783
0.879 High Similarity NPC109925
0.8777 High Similarity NPC160193
0.8774 High Similarity NPC134858
0.875 High Similarity NPC323123
0.8734 High Similarity NPC239775
0.8734 High Similarity NPC475215
0.8734 High Similarity NPC108434
0.8733 High Similarity NPC81733
0.8733 High Similarity NPC326316
0.8733 High Similarity NPC476568
0.871 High Similarity NPC233650
0.8707 High Similarity NPC130926
0.8684 High Similarity NPC216459
0.8684 High Similarity NPC41178
0.8684 High Similarity NPC138487
0.8681 High Similarity NPC170170
0.8681 High Similarity NPC219233
0.8681 High Similarity NPC211468
0.8679 High Similarity NPC477020
0.8679 High Similarity NPC192135
0.8679 High Similarity NPC66341
0.8675 High Similarity NPC210148
0.8675 High Similarity NPC233029
0.8671 High Similarity NPC26240
0.8671 High Similarity NPC69712
0.8671 High Similarity NPC477562
0.8671 High Similarity NPC168753
0.8671 High Similarity NPC118274
0.8662 High Similarity NPC298979
0.8636 High Similarity NPC59028
0.8636 High Similarity NPC92191
0.8634 High Similarity NPC320223
0.8634 High Similarity NPC114364
0.8633 High Similarity NPC172403
0.8627 High Similarity NPC25084
0.8627 High Similarity NPC146288
0.8627 High Similarity NPC247639
0.8625 High Similarity NPC199465
0.8625 High Similarity NPC128560
0.8625 High Similarity NPC229166
0.8611 High Similarity NPC253429
0.8611 High Similarity NPC193528
0.8608 High Similarity NPC470324
0.86 High Similarity NPC92541
0.86 High Similarity NPC219162
0.8581 High Similarity NPC226428
0.858 High Similarity NPC32154
0.8571 High Similarity NPC476572
0.8562 High Similarity NPC325871
0.8562 High Similarity NPC99659
0.8562 High Similarity NPC80129
0.8562 High Similarity NPC187022
0.8544 High Similarity NPC150879
0.8535 High Similarity NPC255607
0.8535 High Similarity NPC3375
0.8533 High Similarity NPC130941
0.8528 High Similarity NPC286119
0.8506 High Similarity NPC234392
0.8506 High Similarity NPC31311
0.8487 Intermediate Similarity NPC476579
0.8481 Intermediate Similarity NPC124657
0.8476 Intermediate Similarity NPC328155
0.8476 Intermediate Similarity NPC8836
0.8476 Intermediate Similarity NPC7715
0.8476 Intermediate Similarity NPC285931
0.8476 Intermediate Similarity NPC271013
0.8476 Intermediate Similarity NPC182052
0.8476 Intermediate Similarity NPC251735
0.8476 Intermediate Similarity NPC239824
0.8476 Intermediate Similarity NPC54654
0.8476 Intermediate Similarity NPC290582
0.8476 Intermediate Similarity NPC217748
0.8476 Intermediate Similarity NPC104196
0.8476 Intermediate Similarity NPC279228
0.8476 Intermediate Similarity NPC222661
0.8476 Intermediate Similarity NPC258657
0.8476 Intermediate Similarity NPC223690
0.8476 Intermediate Similarity NPC49075
0.8476 Intermediate Similarity NPC229373
0.8476 Intermediate Similarity NPC90998
0.8476 Intermediate Similarity NPC311973
0.8476 Intermediate Similarity NPC290005
0.8476 Intermediate Similarity NPC181796
0.8476 Intermediate Similarity NPC30779

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC147390 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
0.9496 High Similarity NPD4664 Clinical (unspecified phase)
0.9103 High Similarity NPD4584 Approved
0.8961 High Similarity NPD4010 Discontinued
0.8733 High Similarity NPD4017 Approved
0.8639 High Similarity NPD5241 Discontinued
0.8618 High Similarity NPD4773 Phase 2
0.8618 High Similarity NPD4772 Phase 2
0.8608 High Similarity NPD2898 Approved
0.859 High Similarity NPD7201 Clinical (unspecified phase)
0.8562 High Similarity NPD7298 Approved
0.8477 Intermediate Similarity NPD3639 Approved
0.8477 Intermediate Similarity NPD6031 Approved
0.8477 Intermediate Similarity NPD3641 Approved
0.8477 Intermediate Similarity NPD6030 Approved
0.8477 Intermediate Similarity NPD3640 Phase 3
0.8476 Intermediate Similarity NPD8054 Approved
0.8476 Intermediate Similarity NPD8053 Approved
0.8467 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.84 Intermediate Similarity NPD2421 Approved
0.84 Intermediate Similarity NPD2420 Approved
0.8387 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.8344 Intermediate Similarity NPD7831 Phase 2
0.8344 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.8344 Intermediate Similarity NPD7833 Phase 2
0.8333 Intermediate Similarity NPD3845 Phase 1
0.8322 Intermediate Similarity NPD5718 Phase 2
0.8264 Intermediate Similarity NPD2674 Phase 3
0.8261 Intermediate Similarity NPD27 Approved
0.8261 Intermediate Similarity NPD2489 Approved
0.8252 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.8212 Intermediate Similarity NPD2422 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD1632 Clinical (unspecified phase)
0.8121 Intermediate Similarity NPD6297 Approved
0.8108 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.8108 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.8086 Intermediate Similarity NPD2970 Approved
0.8086 Intermediate Similarity NPD2969 Approved
0.8069 Intermediate Similarity NPD3144 Approved
0.8069 Intermediate Similarity NPD3145 Approved
0.8056 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.8049 Intermediate Similarity NPD8099 Discontinued
0.8049 Intermediate Similarity NPD8251 Approved
0.8049 Intermediate Similarity NPD8252 Approved
0.8041 Intermediate Similarity NPD6896 Approved
0.8041 Intermediate Similarity NPD6895 Approved
0.8025 Intermediate Similarity NPD6071 Discontinued
0.8025 Intermediate Similarity NPD3051 Approved
0.8013 Intermediate Similarity NPD5177 Phase 3
0.8013 Intermediate Similarity NPD3060 Approved
0.8 Intermediate Similarity NPD8156 Discontinued
0.7988 Intermediate Similarity NPD5602 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD2563 Approved
0.7987 Intermediate Similarity NPD2560 Approved
0.7963 Intermediate Similarity NPD7802 Discontinued
0.7963 Intermediate Similarity NPD6107 Approved
0.7937 Intermediate Similarity NPD6788 Approved
0.7929 Intermediate Similarity NPD6853 Approved
0.7929 Intermediate Similarity NPD6851 Approved
0.7925 Intermediate Similarity NPD2978 Approved
0.7925 Intermediate Similarity NPD2977 Approved
0.7922 Intermediate Similarity NPD3124 Discontinued
0.7895 Intermediate Similarity NPD7906 Approved
0.787 Intermediate Similarity NPD7312 Approved
0.787 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.787 Intermediate Similarity NPD7313 Approved
0.787 Intermediate Similarity NPD7310 Approved
0.787 Intermediate Similarity NPD7311 Approved
0.7867 Intermediate Similarity NPD1753 Discontinued
0.7847 Intermediate Similarity NPD3053 Approved
0.7847 Intermediate Similarity NPD3055 Approved
0.7824 Intermediate Similarity NPD7309 Approved
0.7805 Intermediate Similarity NPD4166 Phase 2
0.7792 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD4162 Approved
0.7765 Intermediate Similarity NPD4577 Approved
0.7765 Intermediate Similarity NPD4578 Approved
0.7764 Intermediate Similarity NPD5977 Approved
0.7764 Intermediate Similarity NPD5978 Approved
0.7742 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD4663 Approved
0.7718 Intermediate Similarity NPD3109 Approved
0.7718 Intermediate Similarity NPD3110 Approved
0.7716 Intermediate Similarity NPD4581 Clinical (unspecified phase)
0.7703 Intermediate Similarity NPD2028 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD7110 Phase 1
0.7688 Intermediate Similarity NPD7109 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD5312 Approved
0.7679 Intermediate Similarity NPD5313 Approved
0.7676 Intermediate Similarity NPD2667 Approved
0.7676 Intermediate Similarity NPD2668 Approved
0.7673 Intermediate Similarity NPD824 Approved
0.7673 Intermediate Similarity NPD4005 Discontinued
0.7669 Intermediate Similarity NPD4055 Discovery
0.7662 Intermediate Similarity NPD4237 Approved
0.7662 Intermediate Similarity NPD4236 Phase 3
0.7651 Intermediate Similarity NPD4474 Approved
0.7651 Intermediate Similarity NPD4475 Approved
0.7643 Intermediate Similarity NPD4123 Phase 3
0.7639 Intermediate Similarity NPD2230 Approved
0.7639 Intermediate Similarity NPD2232 Approved
0.7639 Intermediate Similarity NPD2233 Approved
0.7628 Intermediate Similarity NPD7124 Phase 2
0.7627 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD3636 Approved
0.7619 Intermediate Similarity NPD3637 Approved
0.7619 Intermediate Similarity NPD3635 Approved
0.7613 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD4093 Discontinued
0.7605 Intermediate Similarity NPD4481 Phase 3
0.76 Intermediate Similarity NPD2488 Approved
0.76 Intermediate Similarity NPD2490 Approved
0.7595 Intermediate Similarity NPD6090 Discontinued
0.7564 Intermediate Similarity NPD3692 Discontinued
0.7558 Intermediate Similarity NPD7280 Phase 3
0.7558 Intermediate Similarity NPD7281 Phase 3
0.7547 Intermediate Similarity NPD6662 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD6688 Approved
0.7545 Intermediate Similarity NPD6687 Approved
0.7534 Intermediate Similarity NPD5311 Approved
0.7534 Intermediate Similarity NPD5310 Approved
0.7532 Intermediate Similarity NPD1424 Approved
0.7532 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD5156 Approved
0.7517 Intermediate Similarity NPD5155 Approved
0.75 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6331 Phase 2
0.75 Intermediate Similarity NPD823 Approved
0.75 Intermediate Similarity NPD817 Approved
0.7485 Intermediate Similarity NPD5772 Approved
0.7485 Intermediate Similarity NPD5773 Approved
0.7484 Intermediate Similarity NPD3647 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD2238 Phase 2
0.7466 Intermediate Similarity NPD1669 Approved
0.7455 Intermediate Similarity NPD5604 Discontinued
0.745 Intermediate Similarity NPD3595 Approved
0.745 Intermediate Similarity NPD2605 Approved
0.745 Intermediate Similarity NPD2606 Approved
0.745 Intermediate Similarity NPD3594 Approved
0.744 Intermediate Similarity NPD4083 Discontinued
0.7432 Intermediate Similarity NPD6584 Phase 3
0.7432 Intermediate Similarity NPD7905 Discontinued
0.7429 Intermediate Similarity NPD5283 Phase 1
0.7423 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD3656 Approved
0.7417 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD228 Approved
0.7407 Intermediate Similarity NPD4678 Approved
0.7407 Intermediate Similarity NPD6875 Approved
0.7407 Intermediate Similarity NPD4675 Approved
0.7407 Intermediate Similarity NPD6876 Approved
0.7401 Intermediate Similarity NPD5525 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD8453 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD7132 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD3977 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD6748 Discontinued
0.7386 Intermediate Similarity NPD7291 Discontinued
0.7372 Intermediate Similarity NPD7037 Approved
0.7372 Intermediate Similarity NPD7153 Discontinued
0.7368 Intermediate Similarity NPD3059 Approved
0.7368 Intermediate Similarity NPD3062 Approved
0.7368 Intermediate Similarity NPD3061 Approved
0.7365 Intermediate Similarity NPD4104 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD4103 Phase 2
0.7365 Intermediate Similarity NPD5677 Discontinued
0.7365 Intermediate Similarity NPD4098 Discontinued
0.7356 Intermediate Similarity NPD5917 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD2161 Phase 2
0.7347 Intermediate Similarity NPD4659 Approved
0.7342 Intermediate Similarity NPD5160 Discontinued
0.7329 Intermediate Similarity NPD2122 Discontinued
0.7326 Intermediate Similarity NPD3920 Phase 2
0.7326 Intermediate Similarity NPD7479 Phase 2
0.7325 Intermediate Similarity NPD44 Approved
0.7325 Intermediate Similarity NPD6364 Approved
0.7322 Intermediate Similarity NPD2493 Approved
0.7322 Intermediate Similarity NPD2494 Approved
0.7322 Intermediate Similarity NPD3452 Approved
0.7322 Intermediate Similarity NPD3450 Approved
0.7317 Intermediate Similarity NPD5720 Discontinued
0.7314 Intermediate Similarity NPD6618 Phase 2
0.731 Intermediate Similarity NPD5708 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD1132 Approved
0.7303 Intermediate Similarity NPD1136 Approved
0.7303 Intermediate Similarity NPD1130 Approved
0.7292 Intermediate Similarity NPD5304 Approved
0.7292 Intermediate Similarity NPD5303 Approved
0.7285 Intermediate Similarity NPD3027 Phase 3
0.7273 Intermediate Similarity NPD5087 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5314 Approved
0.7267 Intermediate Similarity NPD4873 Discontinued
0.7263 Intermediate Similarity NPD3922 Approved
0.7263 Intermediate Similarity NPD3921 Approved
0.7263 Intermediate Similarity NPD3923 Approved
0.7263 Intermediate Similarity NPD3924 Approved
0.7262 Intermediate Similarity NPD4666 Phase 3
0.7255 Intermediate Similarity NPD3620 Phase 2

Structure

External Identifiers

PubChem CID   439653
ChEMBL   CHEMBL235212
ZINC  

Physicochemical Properties

Molecular Weight:  329.16
ALogP:  -0.6295
MLogP:  3
XLogP:  2.031
# Rotatable Bonds:  9
Polar Surface Area:  62.16
# H-Bond Aceptor:  1
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  24

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Structure MOL file  
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Biological Activities  
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