Natural Product: NPC131204

Natural Product ID:  NPC131204
Common Name:   6-Methoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-7-Ol
IUPAC Name:   6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Synonyms:  
Molecular Formula:   C11H15NO2
Standard InCHIKey:  FELOSQQXIHRUSH-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
Canonical SMILES:  COc1cc2CCN(Cc2cc1O)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
NPO8144 Labidiaster annulatus Species Labidiasteridae Eukaryota UNPD*
NPO25166 Corydalis ophiocarpa Species Papaveraceae Eukaryota TCMID*
NPO24480 Diospyros ebenum Species Ebenaceae Eukaryota UNPD*
NPO22494 Thalictrum rugosum Species Ranunculaceae Eukaryota TCMID*
NPO29080 Ulex airensis Species Fabaceae Eukaryota UNPD*
NPO9279 Thalictrum dasycarpum Species Ranunculaceae Eukaryota TCMID*
NPO25316 Lasius niger Species Formicidae Eukaryota UNPD*
NPO29391 Papaver bracteatum Species Papaveraceae Eukaryota TCMID*
NPO26428 Ligularia sagitta Species Asteraceae Eukaryota UNPD*
NPO20891 Coleonema pulchellum Species Rutaceae Eukaryota UNPD*
NPO26230 Lappula echinata Species Boraginaceae Eukaryota UNPD*
NPO20451 Vitex scabra Species Lamiaceae Eukaryota UNPD*
NPO25657 Mezzettia leptopoda Species Annonaceae Eukaryota UNPD*
NPO22625 Copris tripartitus Species Scarabaeidae Eukaryota UNPD*
NPO25881 Stachys plumosa Species Lamiaceae Eukaryota UNPD*
NPO25373 Stereocaulon alpinum Species Stereocaulaceae Eukaryota UNPD*
NPO1106 Artabotrys maingayi Species Annonaceae Eukaryota UNPD*
NPO29053 Dictyostelium longosporum Species NA Eukaryota UNPD*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota UNPD*
NPO23223 Symphytum officinale Species Boraginaceae Eukaryota UNPD*
NPO22494 Thalictrum rugosum Species Ranunculaceae Eukaryota TCM_Taiwan*
NPO25166 Corydalis ophiocarpa Species Papaveraceae Eukaryota TCM_Taiwan*
NPO28372 Corydalis pallida Species Papaveraceae Eukaryota TCM_Taiwan*
NPO29391 Papaver bracteatum Species Papaveraceae Eukaryota TCM_Taiwan*
NPO25345 Corydalis ternata Species Papaveraceae Eukaryota UNPD*
NPO336 Chaetomorpha moniligera Species Cladophoraceae Eukaryota UNPD*
NPO25484 Bumelia obtusifolia NA NA NA UNPD*
NPO21985 Koenigia coriaria Species Polygonaceae Eukaryota UNPD*
NPO24868 Streptomyces aizunensis Species Streptomycetaceae Bacteria UNPD*
NPO26193 Piper methysticum Species Piperaceae Eukaryota UNPD*
NPO22441 Senna spectabilis Species Fabaceae Eukaryota UNPD*
NPO25624 Teclea sudanica Species Rutaceae Eukaryota UNPD*
NPO24087 Psacalium peltatum Species Asteraceae Eukaryota UNPD*
NPO22044 Tamarix chinensis Species Tamaricaceae Eukaryota UNPD*
NPO20320 Cryptostegia madagascariensis Species Apocynaceae Eukaryota UNPD*
NPO16414 Thuja plicata Species Cupressaceae Eukaryota UNPD*
NPO15557 Menispermi rhizoma NA NA NA TCMSP*
NPO7177 Inocybe rimosa Species Inocybaceae Eukaryota UNPD*
NPO24221 Corydalis aurea Species Papaveraceae Eukaryota TCMID*
NPO25166 Corydalis ophiocarpa Species Papaveraceae Eukaryota UNPD*
NPO28372 Corydalis pallida Species Papaveraceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4518 Individual Protein NAD-dependent deacetylase HST2 Saccharomyces cerevisiae S288c Activity = 100 % 19734050
NPT4518 Individual Protein NAD-dependent deacetylase HST2 Saccharomyces cerevisiae S288c Activity = 98 % 19734050
NPT412 Protein Complex Neuronal acetylcholine receptor; alpha4/beta2 Rattus norvegicus Ki = 1700 nM 24187998
NPT418 Protein Complex Neuronal acetylcholine receptor; alpha4/beta4 Rattus norvegicus Ki = 100000 nM 24187998
NPT417 Protein Complex Neuronal acetylcholine receptor; alpha3/beta4 Rattus norvegicus Ki = 300000 nM 24187998
NPT2 Others Unspecified Ki > 500000 nM 24187998
NPT964 Protein Complex Nicotinic acetylcholine receptor alpha-4/beta-2 Mus musculus IC50 = 4400 nM 24187998
NPT417 Protein Complex Neuronal acetylcholine receptor; alpha3/beta4 Rattus norvegicus IC50 > 1000000 nM 24187998

  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 NPC131204 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 NPC301050
0.938 High Similarity NPC160193
0.9338 High Similarity NPC294249
0.9275 High Similarity NPC321505
0.9275 High Similarity NPC179825
0.9275 High Similarity NPC191376
0.9209 High Similarity NPC24233
0.9209 High Similarity NPC476571
0.9209 High Similarity NPC246587
0.9209 High Similarity NPC147390
0.9209 High Similarity NPC135538
0.9209 High Similarity NPC428
0.9143 High Similarity NPC477565
0.9143 High Similarity NPC103379
0.913 High Similarity NPC185838
0.9078 High Similarity NPC220858
0.9078 High Similarity NPC97221
0.9078 High Similarity NPC192768
0.9078 High Similarity NPC88249
0.9078 High Similarity NPC151895
0.9023 High Similarity NPC160692
0.9 High Similarity NPC476151
0.8963 High Similarity NPC7018
0.8951 High Similarity NPC133011
0.8951 High Similarity NPC82285
0.8881 High Similarity NPC76213
0.8881 High Similarity NPC277669
0.8828 High Similarity NPC276588
0.8828 High Similarity NPC54379
0.8828 High Similarity NPC249797
0.8828 High Similarity NPC127674
0.8828 High Similarity NPC207757
0.8828 High Similarity NPC184026
0.8828 High Similarity NPC5238
0.8828 High Similarity NPC469817
0.8828 High Similarity NPC204828
0.8828 High Similarity NPC172765
0.8828 High Similarity NPC189266
0.8828 High Similarity NPC295691
0.8828 High Similarity NPC193949
0.8828 High Similarity NPC2413
0.8828 High Similarity NPC278799
0.8828 High Similarity NPC110416
0.8828 High Similarity NPC39701
0.8768 High Similarity NPC314682
0.8767 High Similarity NPC147091
0.8759 High Similarity NPC477564
0.8759 High Similarity NPC2295
0.8759 High Similarity NPC253429
0.8741 High Similarity NPC207824
0.8741 High Similarity NPC60538
0.8705 High Similarity NPC474915
0.8705 High Similarity NPC213206
0.8705 High Similarity NPC328750
0.8705 High Similarity NPC188163
0.869 High Similarity NPC37272
0.8681 High Similarity NPC274026
0.8649 High Similarity NPC111485
0.8647 High Similarity NPC172403
0.8591 High Similarity NPC166014
0.8591 High Similarity NPC135006
0.8591 High Similarity NPC249274
0.8591 High Similarity NPC205167
0.8591 High Similarity NPC27410
0.8582 High Similarity NPC136860
0.8582 High Similarity NPC476567
0.8582 High Similarity NPC128019
0.8533 High Similarity NPC60186
0.8529 High Similarity NPC130595
0.8529 High Similarity NPC93882
0.8529 High Similarity NPC33338
0.8529 High Similarity NPC302171
0.8529 High Similarity NPC300020
0.8514 High Similarity NPC186063
0.8477 Intermediate Similarity NPC324144
0.8467 Intermediate Similarity NPC285078
0.8467 Intermediate Similarity NPC313737
0.8467 Intermediate Similarity NPC6854
0.8462 Intermediate Similarity NPC130926
0.8456 Intermediate Similarity NPC475326
0.8429 Intermediate Similarity NPC231572
0.8421 Intermediate Similarity NPC276944
0.8421 Intermediate Similarity NPC253043
0.8421 Intermediate Similarity NPC136508
0.8421 Intermediate Similarity NPC24465
0.8421 Intermediate Similarity NPC306843
0.8421 Intermediate Similarity NPC232514
0.8421 Intermediate Similarity NPC196447
0.8421 Intermediate Similarity NPC4138
0.8421 Intermediate Similarity NPC121275
0.8421 Intermediate Similarity NPC284183
0.8421 Intermediate Similarity NPC96603
0.8421 Intermediate Similarity NPC78222
0.8421 Intermediate Similarity NPC212794
0.8421 Intermediate Similarity NPC477563
0.8421 Intermediate Similarity NPC238530
0.8421 Intermediate Similarity NPC13504
0.8406 Intermediate Similarity NPC218530
0.8366 Intermediate Similarity NPC13916
0.8366 Intermediate Similarity NPC317272
0.8366 Intermediate Similarity NPC42549
0.8366 Intermediate Similarity NPC256012
0.8366 Intermediate Similarity NPC264850
0.8366 Intermediate Similarity NPC250846
0.8366 Intermediate Similarity NPC268503
0.8366 Intermediate Similarity NPC240841
0.8346 Intermediate Similarity NPC140359
0.8346 Intermediate Similarity NPC13020
0.8345 Intermediate Similarity NPC210437
0.8345 Intermediate Similarity NPC476144
0.8345 Intermediate Similarity NPC51957
0.8345 Intermediate Similarity NPC106295
0.8345 Intermediate Similarity NPC16107
0.8344 Intermediate Similarity NPC18402
0.8321 Intermediate Similarity NPC308885
0.8321 Intermediate Similarity NPC255550
0.8312 Intermediate Similarity NPC306555
0.8312 Intermediate Similarity NPC145832
0.8312 Intermediate Similarity NPC205421
0.8312 Intermediate Similarity NPC474931
0.8312 Intermediate Similarity NPC81218
0.8312 Intermediate Similarity NPC158376
0.8312 Intermediate Similarity NPC12053
0.8312 Intermediate Similarity NPC210140
0.8312 Intermediate Similarity NPC117188
0.8311 Intermediate Similarity NPC26601
0.8288 Intermediate Similarity NPC475959
0.8288 Intermediate Similarity NPC59907
0.8288 Intermediate Similarity NPC7467
0.8288 Intermediate Similarity NPC37144
0.8278 Intermediate Similarity NPC92191
0.8278 Intermediate Similarity NPC59028
0.8258 Intermediate Similarity NPC83198
0.8258 Intermediate Similarity NPC204908
0.8258 Intermediate Similarity NPC66573
0.8258 Intermediate Similarity NPC470324
0.8247 Intermediate Similarity NPC476573
0.8247 Intermediate Similarity NPC35627
0.8247 Intermediate Similarity NPC81247
0.8235 Intermediate Similarity NPC1229
0.8235 Intermediate Similarity NPC153990
0.8209 Intermediate Similarity NPC217277
0.8205 Intermediate Similarity NPC109925
0.8188 Intermediate Similarity NPC223124
0.8188 Intermediate Similarity NPC476570
0.8182 Intermediate Similarity NPC134858
0.8156 Intermediate Similarity NPC416184
0.8153 Intermediate Similarity NPC476331
0.8153 Intermediate Similarity NPC239775
0.8129 Intermediate Similarity NPC214869
0.8121 Intermediate Similarity NPC476579
0.8121 Intermediate Similarity NPC81733
0.8121 Intermediate Similarity NPC326316
0.8121 Intermediate Similarity NPC119669
0.8121 Intermediate Similarity NPC476568
0.8117 Intermediate Similarity NPC233650
0.8108 Intermediate Similarity NPC92541
0.8108 Intermediate Similarity NPC219162
0.8105 Intermediate Similarity NPC215829
0.8105 Intermediate Similarity NPC97072
0.8105 Intermediate Similarity NPC226428
0.8101 Intermediate Similarity NPC190783
0.8101 Intermediate Similarity NPC232386
0.8101 Intermediate Similarity NPC152680
0.8099 Intermediate Similarity NPC193528
0.8092 Intermediate Similarity NPC40389
0.8092 Intermediate Similarity NPC315707
0.8092 Intermediate Similarity NPC148014
0.8092 Intermediate Similarity NPC78359
0.8092 Intermediate Similarity NPC65490
0.8089 Intermediate Similarity NPC26240
0.8089 Intermediate Similarity NPC69712
0.8089 Intermediate Similarity NPC118274
0.8089 Intermediate Similarity NPC168753
0.8089 Intermediate Similarity NPC477562
0.8077 Intermediate Similarity NPC100566
0.8077 Intermediate Similarity NPC298979
0.8067 Intermediate Similarity NPC476580
0.8067 Intermediate Similarity NPC233029
0.8067 Intermediate Similarity NPC148898
0.8067 Intermediate Similarity NPC210148
0.8058 Intermediate Similarity NPC114102
0.8054 Intermediate Similarity NPC223125
0.805 Intermediate Similarity NPC128560
0.805 Intermediate Similarity NPC199465
0.805 Intermediate Similarity NPC229166
0.8043 Intermediate Similarity NPC155838
0.8042 Intermediate Similarity NPC170170
0.8042 Intermediate Similarity NPC211468
0.8042 Intermediate Similarity NPC219233
0.8041 Intermediate Similarity NPC130941
0.8038 Intermediate Similarity NPC475215
0.8038 Intermediate Similarity NPC108434
0.8013 Intermediate Similarity NPC124657
0.8 Intermediate Similarity NPC298486
0.7987 Intermediate Similarity NPC66341
0.7987 Intermediate Similarity NPC192135
0.7987 Intermediate Similarity NPC477020
0.7986 Intermediate Similarity NPC323123
0.7986 Intermediate Similarity NPC195749

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC131204 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
0.8705 High Similarity NPD4664 Clinical (unspecified phase)
0.8529 High Similarity NPD2674 Phase 3
0.8378 Intermediate Similarity NPD4772 Phase 2
0.8378 Intermediate Similarity NPD4773 Phase 2
0.8366 Intermediate Similarity NPD4010 Discontinued
0.8345 Intermediate Similarity NPD4584 Approved
0.8321 Intermediate Similarity NPD3145 Approved
0.8321 Intermediate Similarity NPD3144 Approved
0.8258 Intermediate Similarity NPD2898 Approved
0.8248 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.8231 Intermediate Similarity NPD3639 Approved
0.8231 Intermediate Similarity NPD3640 Phase 3
0.8231 Intermediate Similarity NPD3641 Approved
0.8219 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.8188 Intermediate Similarity NPD5718 Phase 2
0.8138 Intermediate Similarity NPD5241 Discontinued
0.8121 Intermediate Similarity NPD4017 Approved
0.8108 Intermediate Similarity NPD6031 Approved
0.8108 Intermediate Similarity NPD6030 Approved
0.8105 Intermediate Similarity NPD7833 Phase 2
0.8105 Intermediate Similarity NPD7831 Phase 2
0.8105 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.8092 Intermediate Similarity NPD2560 Approved
0.8092 Intermediate Similarity NPD2563 Approved
0.8043 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.8042 Intermediate Similarity NPD1632 Clinical (unspecified phase)
0.8013 Intermediate Similarity NPD6071 Discontinued
0.8 Intermediate Similarity NPD7201 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD824 Approved
0.7961 Intermediate Similarity NPD7298 Approved
0.7908 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7907 Intermediate Similarity NPD228 Approved
0.7877 Intermediate Similarity NPD3060 Approved
0.7852 Intermediate Similarity NPD1424 Approved
0.7847 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7847 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD8053 Approved
0.7805 Intermediate Similarity NPD8054 Approved
0.7799 Intermediate Similarity NPD2489 Approved
0.7799 Intermediate Similarity NPD27 Approved
0.7785 Intermediate Similarity NPD2421 Approved
0.7785 Intermediate Similarity NPD2420 Approved
0.7778 Intermediate Similarity NPD6895 Approved
0.7778 Intermediate Similarity NPD6896 Approved
0.7755 Intermediate Similarity NPD5177 Phase 3
0.7718 Intermediate Similarity NPD3845 Phase 1
0.7647 Intermediate Similarity NPD2668 Approved
0.7647 Intermediate Similarity NPD2667 Approved
0.7635 Intermediate Similarity NPD4162 Approved
0.7625 Intermediate Similarity NPD2969 Approved
0.7625 Intermediate Similarity NPD2970 Approved
0.761 Intermediate Similarity NPD6107 Approved
0.761 Intermediate Similarity NPD7802 Discontinued
0.7609 Intermediate Similarity NPD2230 Approved
0.7609 Intermediate Similarity NPD2233 Approved
0.7609 Intermediate Similarity NPD2232 Approved
0.7603 Intermediate Similarity NPD1753 Discontinued
0.76 Intermediate Similarity NPD2422 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD3053 Approved
0.7571 Intermediate Similarity NPD3055 Approved
0.7568 Intermediate Similarity NPD7153 Discontinued
0.7562 Intermediate Similarity NPD3051 Approved
0.7562 Intermediate Similarity NPD4166 Phase 2
0.7561 Intermediate Similarity NPD6297 Approved
0.7552 Intermediate Similarity NPD2028 Clinical (unspecified phase)
0.755 Intermediate Similarity NPD3124 Discontinued
0.7533 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD5977 Approved
0.7516 Intermediate Similarity NPD5978 Approved
0.75 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5310 Approved
0.75 Intermediate Similarity NPD3656 Approved
0.75 Intermediate Similarity NPD5311 Approved
0.75 Intermediate Similarity NPD4123 Phase 3
0.7483 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD6788 Approved
0.7452 Intermediate Similarity NPD2978 Approved
0.7452 Intermediate Similarity NPD2977 Approved
0.7451 Intermediate Similarity NPD6090 Discontinued
0.7448 Intermediate Similarity NPD2238 Phase 2
0.7444 Intermediate Similarity NPD9379 Approved
0.7444 Intermediate Similarity NPD9377 Approved
0.7436 Intermediate Similarity NPD7109 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD7110 Phase 1
0.7432 Intermediate Similarity NPD2161 Phase 2
0.7429 Intermediate Similarity NPD1669 Approved
0.7423 Intermediate Similarity NPD5602 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD3692 Discontinued
0.7417 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD6688 Approved
0.7407 Intermediate Similarity NPD6687 Approved
0.7403 Intermediate Similarity NPD6662 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD4237 Approved
0.74 Intermediate Similarity NPD4236 Phase 3
0.7394 Intermediate Similarity NPD9621 Approved
0.7394 Intermediate Similarity NPD9620 Approved
0.7394 Intermediate Similarity NPD9619 Approved
0.7381 Intermediate Similarity NPD6851 Approved
0.7381 Intermediate Similarity NPD6853 Approved
0.7378 Intermediate Similarity NPD8099 Discontinued
0.7378 Intermediate Similarity NPD8251 Approved
0.7378 Intermediate Similarity NPD8252 Approved
0.7376 Intermediate Similarity NPD9634 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD1337 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD7124 Phase 2
0.7353 Intermediate Similarity NPD7906 Approved
0.7347 Intermediate Similarity NPD823 Approved
0.7347 Intermediate Similarity NPD2492 Phase 1
0.7347 Intermediate Similarity NPD817 Approved
0.7333 Intermediate Similarity NPD5312 Approved
0.7333 Intermediate Similarity NPD8156 Discontinued
0.7333 Intermediate Similarity NPD5313 Approved
0.7329 Intermediate Similarity NPD3109 Approved
0.7329 Intermediate Similarity NPD3110 Approved
0.7321 Intermediate Similarity NPD4577 Approved
0.7321 Intermediate Similarity NPD7310 Approved
0.7321 Intermediate Similarity NPD7312 Approved
0.7321 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD4578 Approved
0.7321 Intermediate Similarity NPD7313 Approved
0.7321 Intermediate Similarity NPD7311 Approved
0.7319 Intermediate Similarity NPD4093 Discontinued
0.7312 Intermediate Similarity NPD5604 Discontinued
0.731 Intermediate Similarity NPD1039 Discontinued
0.731 Intermediate Similarity NPD597 Approved
0.731 Intermediate Similarity NPD601 Approved
0.731 Intermediate Similarity NPD598 Approved
0.7305 Intermediate Similarity NPD1421 Approved
0.7305 Intermediate Similarity NPD1420 Approved
0.7297 Intermediate Similarity NPD6111 Discontinued
0.7278 Intermediate Similarity NPD7309 Approved
0.7273 Intermediate Similarity NPD7905 Discontinued
0.7267 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD6876 Approved
0.7261 Intermediate Similarity NPD6875 Approved
0.7261 Intermediate Similarity NPD4675 Approved
0.7261 Intermediate Similarity NPD4678 Approved
0.726 Intermediate Similarity NPD1130 Approved
0.726 Intermediate Similarity NPD1132 Approved
0.726 Intermediate Similarity NPD4475 Approved
0.726 Intermediate Similarity NPD1136 Approved
0.726 Intermediate Similarity NPD4474 Approved
0.725 Intermediate Similarity NPD4581 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD6331 Phase 2
0.7233 Intermediate Similarity NPD5773 Approved
0.7233 Intermediate Similarity NPD5772 Approved
0.723 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD2653 Approved
0.7222 Intermediate Similarity NPD3635 Approved
0.7222 Intermediate Similarity NPD3636 Approved
0.7222 Intermediate Similarity NPD3637 Approved
0.7218 Intermediate Similarity NPD1792 Phase 2
0.7211 Intermediate Similarity NPD3062 Approved
0.7211 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD3059 Approved
0.7211 Intermediate Similarity NPD3620 Phase 2
0.7211 Intermediate Similarity NPD3061 Approved
0.7206 Intermediate Similarity NPD1793 Approved
0.7206 Intermediate Similarity NPD1791 Approved
0.72 Intermediate Similarity NPD3156 Discontinued
0.7195 Intermediate Similarity NPD4083 Discontinued
0.7193 Intermediate Similarity NPD4663 Approved
0.7179 Intermediate Similarity NPD2122 Discontinued
0.7179 Intermediate Similarity NPD1914 Approved
0.717 Intermediate Similarity NPD5720 Discontinued
0.7168 Intermediate Similarity NPD2488 Approved
0.7168 Intermediate Similarity NPD2490 Approved
0.7153 Intermediate Similarity NPD6584 Phase 3
0.7152 Intermediate Similarity NPD1375 Discontinued
0.7143 Intermediate Similarity NPD9381 Approved
0.7143 Intermediate Similarity NPD1751 Approved
0.7143 Intermediate Similarity NPD9384 Approved
0.7134 Intermediate Similarity NPD3686 Approved
0.7134 Intermediate Similarity NPD3687 Approved
0.7133 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD3693 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD2229 Approved
0.7132 Intermediate Similarity NPD2228 Approved
0.7132 Intermediate Similarity NPD2234 Approved
0.7132 Intermediate Similarity NPD5283 Phase 1
0.7124 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD1444 Approved
0.7121 Intermediate Similarity NPD1445 Approved
0.7118 Intermediate Similarity NPD5917 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD5677 Discontinued
0.7115 Intermediate Similarity NPD3647 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD5314 Approved
0.7113 Intermediate Similarity NPD2337 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD1372 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD7037 Approved
0.7099 Intermediate Similarity NPD4055 Discovery
0.7095 Intermediate Similarity NPD1558 Phase 1
0.7089 Intermediate Similarity NPD4005 Discontinued
0.7083 Intermediate Similarity NPD4098 Discontinued
0.7076 Intermediate Similarity NPD6618 Phase 2
0.7071 Intermediate Similarity NPD2595 Approved
0.7071 Intermediate Similarity NPD2594 Approved
0.7063 Intermediate Similarity NPD9622 Approved

Structure

External Identifiers

PubChem CID   280225
ChEMBL   CHEMBL593001
ZINC  

Physicochemical Properties

Molecular Weight:  193.11
ALogP:  -0.1178
MLogP:  2.34
XLogP:  0.768
# Rotatable Bonds:  4
Polar Surface Area:  32.7
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  14

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Biological Activities  
Similar NPs/Drugs