Natural Product: NPC75958

Natural Product ID:  NPC75958
Common Name:   Buphanidrine
IUPAC Name:  
Synonyms:   Buphanidrine
Molecular Formula:   C18H21NO4
Standard InCHIKey:  RNEXSBPDDRJJIY-BKGUAONASA-N
Standard InCHI:  InChI=1S/C18H21NO4/c1-20-11-3-4-18-5-6-19(15(18)7-11)9-12-13(18)8-14-17(16(12)21-2)23-10-22-14/h3-4,8,11,15H,5-7,9-10H2,1-2H3/t11-,15+,18+/m0/s1
Canonical SMILES:  CO[C@H]1C=C[C@@]23[C@@H](C1)N(CC2)Cc1c3cc2OCOc2c1OC
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
NPO13176 Garcinia densivenia Species Clusiaceae Eukaryota UNPD*
NPO33437 amaryllidaceae Family Amaryllidaceae Eukaryota PMID[22921081]
NPO10281 Fritillaria roylei Species Liliaceae Eukaryota UNPD*
NPO11265 Coryphantha cornifera Species Cactaceae Eukaryota UNPD*
NPO4020 Dorstenia turbinata Species Moraceae Eukaryota UNPD*
NPO4617 Tanacetum cinerariifolium Species Asteraceae Eukaryota UNPD*
NPO27248 Artemisia pygmaea Species Asteraceae Eukaryota UNPD*
NPO2381 Phacelocarpus peperocarpos Species Phacelocarpaceae Eukaryota UNPD*
NPO13772 Didemnum proliferum Species Didemnidae Eukaryota UNPD*
NPO5924 Brunsvigia josephinae Species Amaryllidaceae Eukaryota UNPD*
NPO11841 Psorothamnus arborescens Species Fabaceae Eukaryota UNPD*
NPO11658 Alternanthera philoxeroides Species Amaranthaceae Eukaryota UNPD*
NPO12363 Dermocybe sanguinea Species Cortinariaceae Eukaryota UNPD*
NPO13027 Eucalyptus torelliana Species Myrtaceae Eukaryota UNPD*
NPO25221 Crinum macowanii Species Amaryllidaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1160 Cell Line BJ Homo sapiens IC50 = 26200 nM 22921081
NPT2468 Cell Line G-361 Homo sapiens IC50 > 50000 nM 22921081
NPT165 Cell Line HeLa Homo sapiens IC50 > 50000 nM 22921081
NPT83 Cell Line MCF7 Homo sapiens IC50 > 50000 nM 22921081
NPT111 Cell Line K562 Homo sapiens IC50 > 50000 nM 22921081
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 > 50000 nM 22921081

  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 NPC75958 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
0.963 High Similarity NPC244554
0.9295 High Similarity NPC78733
0.9202 High Similarity NPC65403
0.9198 High Similarity NPC82533
0.9198 High Similarity NPC290759
0.9198 High Similarity NPC158148
0.9198 High Similarity NPC266176
0.9085 High Similarity NPC470739
0.9085 High Similarity NPC225597
0.9085 High Similarity NPC477640
0.908 High Similarity NPC475686
0.908 High Similarity NPC58766
0.9053 High Similarity NPC9867
0.9024 High Similarity NPC474475
0.9012 High Similarity NPC180306
0.9012 High Similarity NPC247972
0.8944 High Similarity NPC215829
0.8944 High Similarity NPC97072
0.8922 High Similarity NPC474470
0.891 High Similarity NPC59907
0.891 High Similarity NPC37144
0.8909 High Similarity NPC311991
0.8902 High Similarity NPC474324
0.8902 High Similarity NPC100566
0.8902 High Similarity NPC57812
0.8869 High Similarity NPC15919
0.8848 High Similarity NPC475845
0.8844 High Similarity NPC63152
0.8834 High Similarity NPC320104
0.8805 High Similarity NPC148898
0.8795 High Similarity NPC474708
0.8788 High Similarity NPC181653
0.8788 High Similarity NPC190332
0.8758 High Similarity NPC234392
0.8758 High Similarity NPC31311
0.8743 High Similarity NPC149090
0.8743 High Similarity NPC19520
0.872 High Similarity NPC218614
0.8696 High Similarity NPC41178
0.8696 High Similarity NPC216459
0.8696 High Similarity NPC138487
0.8671 High Similarity NPC475959
0.8647 High Similarity NPC148693
0.8647 High Similarity NPC294790
0.8647 High Similarity NPC118633
0.8642 High Similarity NPC146288
0.8639 High Similarity NPC187678
0.8639 High Similarity NPC304675
0.8605 High Similarity NPC73492
0.8605 High Similarity NPC299990
0.8588 High Similarity NPC237044
0.858 High Similarity NPC2314
0.8571 High Similarity NPC210148
0.8571 High Similarity NPC233029
0.8563 High Similarity NPC210918
0.8563 High Similarity NPC252960
0.8538 High Similarity NPC474325
0.8503 High Similarity NPC24264
0.8503 High Similarity NPC476002
0.8503 High Similarity NPC476432
0.8488 Intermediate Similarity NPC474745
0.8457 Intermediate Similarity NPC214116
0.8452 Intermediate Similarity NPC247389
0.8448 Intermediate Similarity NPC475981
0.8448 Intermediate Similarity NPC474746
0.8447 Intermediate Similarity NPC223125
0.8443 Intermediate Similarity NPC167546
0.8443 Intermediate Similarity NPC225774
0.8443 Intermediate Similarity NPC16805
0.8443 Intermediate Similarity NPC231198
0.8443 Intermediate Similarity NPC302527
0.8439 Intermediate Similarity NPC474506
0.8439 Intermediate Similarity NPC32413
0.843 Intermediate Similarity NPC23219
0.8415 Intermediate Similarity NPC147091
0.8415 Intermediate Similarity NPC180756
0.8415 Intermediate Similarity NPC323443
0.8393 Intermediate Similarity NPC219341
0.8393 Intermediate Similarity NPC13916
0.8393 Intermediate Similarity NPC264850
0.8391 Intermediate Similarity NPC102760
0.8382 Intermediate Similarity NPC258695
0.8382 Intermediate Similarity NPC470879
0.8372 Intermediate Similarity NPC112575
0.8365 Intermediate Similarity NPC130926
0.8362 Intermediate Similarity NPC281581
0.8354 Intermediate Similarity NPC93593
0.8344 Intermediate Similarity NPC223124
0.8333 Intermediate Similarity NPC232514
0.8333 Intermediate Similarity NPC276944
0.8333 Intermediate Similarity NPC24465
0.8333 Intermediate Similarity NPC238530
0.8315 Intermediate Similarity NPC473716
0.8315 Intermediate Similarity NPC475597
0.8314 Intermediate Similarity NPC49353
0.8313 Intermediate Similarity NPC477080
0.8306 Intermediate Similarity NPC2173
0.8306 Intermediate Similarity NPC119818
0.8306 Intermediate Similarity NPC328700
0.8306 Intermediate Similarity NPC202771
0.8294 Intermediate Similarity NPC83198
0.8294 Intermediate Similarity NPC204908
0.8286 Intermediate Similarity NPC275132
0.8268 Intermediate Similarity NPC24260
0.8263 Intermediate Similarity NPC205167
0.8263 Intermediate Similarity NPC249274
0.8263 Intermediate Similarity NPC477559
0.8263 Intermediate Similarity NPC160298
0.8263 Intermediate Similarity NPC306902
0.8263 Intermediate Similarity NPC4304
0.8263 Intermediate Similarity NPC232924
0.8263 Intermediate Similarity NPC266753
0.8261 Intermediate Similarity NPC51957
0.8261 Intermediate Similarity NPC476144
0.8261 Intermediate Similarity NPC106295
0.8261 Intermediate Similarity NPC16107
0.8261 Intermediate Similarity NPC210437
0.8249 Intermediate Similarity NPC230098
0.8228 Intermediate Similarity NPC213206
0.8228 Intermediate Similarity NPC188163
0.8228 Intermediate Similarity NPC474915
0.8228 Intermediate Similarity NPC328750
0.821 Intermediate Similarity NPC7467
0.8205 Intermediate Similarity NPC7018
0.8204 Intermediate Similarity NPC92191
0.8204 Intermediate Similarity NPC59028
0.8198 Intermediate Similarity NPC63646
0.8198 Intermediate Similarity NPC115284
0.8198 Intermediate Similarity NPC276890
0.8198 Intermediate Similarity NPC76682
0.8198 Intermediate Similarity NPC198498
0.8198 Intermediate Similarity NPC227060
0.8198 Intermediate Similarity NPC10908
0.8198 Intermediate Similarity NPC317145
0.8198 Intermediate Similarity NPC317439
0.8182 Intermediate Similarity NPC248642
0.8171 Intermediate Similarity NPC126284
0.8167 Intermediate Similarity NPC117717
0.8165 Intermediate Similarity NPC314682
0.8161 Intermediate Similarity NPC283999
0.8156 Intermediate Similarity NPC82763
0.815 Intermediate Similarity NPC152680
0.815 Intermediate Similarity NPC12424
0.815 Intermediate Similarity NPC190783
0.815 Intermediate Similarity NPC129518
0.815 Intermediate Similarity NPC251580
0.815 Intermediate Similarity NPC41376
0.815 Intermediate Similarity NPC232386
0.8146 Intermediate Similarity NPC57036
0.8144 Intermediate Similarity NPC78359
0.8144 Intermediate Similarity NPC148014
0.8144 Intermediate Similarity NPC40389
0.8144 Intermediate Similarity NPC129603
0.8144 Intermediate Similarity NPC315707
0.8144 Intermediate Similarity NPC65490
0.814 Intermediate Similarity NPC6152
0.8136 Intermediate Similarity NPC156576
0.8133 Intermediate Similarity NPC244112
0.8133 Intermediate Similarity NPC76079
0.8114 Intermediate Similarity NPC114364
0.8114 Intermediate Similarity NPC320223
0.811 Intermediate Similarity NPC274026
0.8103 Intermediate Similarity NPC128560
0.8103 Intermediate Similarity NPC229166
0.8103 Intermediate Similarity NPC199465
0.8101 Intermediate Similarity NPC186546
0.8101 Intermediate Similarity NPC476576
0.8095 Intermediate Similarity NPC111485
0.8095 Intermediate Similarity NPC106786
0.8092 Intermediate Similarity NPC10871
0.8087 Intermediate Similarity NPC124302
0.8087 Intermediate Similarity NPC70290
0.8087 Intermediate Similarity NPC14622
0.8087 Intermediate Similarity NPC46744
0.8087 Intermediate Similarity NPC73020
0.8087 Intermediate Similarity NPC215098
0.807 Intermediate Similarity NPC124657
0.8068 Intermediate Similarity NPC99179
0.8068 Intermediate Similarity NPC267408
0.8059 Intermediate Similarity NPC59567
0.8057 Intermediate Similarity NPC293093
0.8046 Intermediate Similarity NPC228040
0.8037 Intermediate Similarity NPC476151
0.8036 Intermediate Similarity NPC476572
0.8024 Intermediate Similarity NPC325871
0.8024 Intermediate Similarity NPC123323
0.8024 Intermediate Similarity NPC99659
0.8023 Intermediate Similarity NPC298979
0.8023 Intermediate Similarity NPC204947
0.8022 Intermediate Similarity NPC471113
0.8012 Intermediate Similarity NPC133011
0.8012 Intermediate Similarity NPC136860
0.8012 Intermediate Similarity NPC476567
0.8012 Intermediate Similarity NPC82285
0.8012 Intermediate Similarity NPC128019
0.8 Intermediate Similarity NPC237579
0.8 Intermediate Similarity NPC314100
0.8 Intermediate Similarity NPC226652
0.8 Intermediate Similarity NPC120671
0.8 Intermediate Similarity NPC72788

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC75958 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
0.8306 Intermediate Similarity NPD5006 Approved
0.8306 Intermediate Similarity NPD5005 Approved
0.8261 Intermediate Similarity NPD4584 Approved
0.8256 Intermediate Similarity NPD8156 Discontinued
0.8228 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.8198 Intermediate Similarity NPD8251 Approved
0.8198 Intermediate Similarity NPD8252 Approved
0.8198 Intermediate Similarity NPD8099 Discontinued
0.8176 Intermediate Similarity NPD6071 Discontinued
0.8144 Intermediate Similarity NPD2560 Approved
0.8144 Intermediate Similarity NPD2563 Approved
0.8095 Intermediate Similarity NPD6788 Approved
0.8087 Intermediate Similarity NPD4420 Approved
0.8081 Intermediate Similarity NPD4481 Phase 3
0.8075 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD1424 Approved
0.7919 Intermediate Similarity NPD2970 Approved
0.7919 Intermediate Similarity NPD2969 Approved
0.7877 Intermediate Similarity NPD8054 Approved
0.7877 Intermediate Similarity NPD8053 Approved
0.7861 Intermediate Similarity NPD3051 Approved
0.7771 Intermediate Similarity NPD2489 Approved
0.7771 Intermediate Similarity NPD27 Approved
0.7751 Intermediate Similarity NPD4772 Phase 2
0.7751 Intermediate Similarity NPD4773 Phase 2
0.7744 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD7124 Phase 2
0.7697 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD2898 Approved
0.765 Intermediate Similarity NPD7906 Approved
0.7633 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7633 Intermediate Similarity NPD4017 Approved
0.7624 Intermediate Similarity NPD7312 Approved
0.7624 Intermediate Similarity NPD7310 Approved
0.7624 Intermediate Similarity NPD7313 Approved
0.7624 Intermediate Similarity NPD7311 Approved
0.7619 Intermediate Similarity NPD3641 Approved
0.7619 Intermediate Similarity NPD3640 Phase 3
0.7619 Intermediate Similarity NPD3639 Approved
0.76 Intermediate Similarity NPD6107 Approved
0.7582 Intermediate Similarity NPD7309 Approved
0.7529 Intermediate Similarity NPD4055 Discovery
0.7527 Intermediate Similarity NPD4578 Approved
0.7527 Intermediate Similarity NPD4577 Approved
0.7515 Intermediate Similarity NPD6030 Approved
0.7515 Intermediate Similarity NPD6031 Approved
0.75 Intermediate Similarity NPD7298 Approved
0.75 Intermediate Similarity NPD4663 Approved
0.7484 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD4210 Discontinued
0.7457 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD7281 Phase 3
0.7432 Intermediate Similarity NPD2971 Approved
0.7432 Intermediate Similarity NPD7280 Phase 3
0.7432 Intermediate Similarity NPD2968 Approved
0.7423 Intermediate Similarity NPD6111 Discontinued
0.741 Intermediate Similarity NPD4236 Phase 3
0.741 Intermediate Similarity NPD4237 Approved
0.7407 Intermediate Similarity NPD5582 Discontinued
0.7399 Intermediate Similarity NPD3383 Approved
0.7399 Intermediate Similarity NPD3384 Approved
0.7399 Intermediate Similarity NPD3382 Approved
0.7391 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7382 Intermediate Similarity NPD8095 Phase 1
0.7378 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD4166 Phase 2
0.7356 Intermediate Similarity NPD4585 Approved
0.7356 Intermediate Similarity NPD2978 Approved
0.7356 Intermediate Similarity NPD2977 Approved
0.7348 Intermediate Similarity NPD5313 Approved
0.7348 Intermediate Similarity NPD5312 Approved
0.7345 Intermediate Similarity NPD5677 Discontinued
0.734 Intermediate Similarity NPD7296 Approved
0.733 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD4005 Discontinued
0.7321 Intermediate Similarity NPD5241 Discontinued
0.7317 Intermediate Similarity NPD2200 Suspended
0.7277 Intermediate Similarity NPD2974 Approved
0.7277 Intermediate Similarity NPD2973 Approved
0.7277 Intermediate Similarity NPD2975 Approved
0.7257 Intermediate Similarity NPD5772 Approved
0.7257 Intermediate Similarity NPD5773 Approved
0.7247 Intermediate Similarity NPD7201 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD5297 Approved
0.7232 Intermediate Similarity NPD7833 Phase 2
0.7232 Intermediate Similarity NPD7831 Phase 2
0.7232 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD5718 Phase 2
0.7212 Intermediate Similarity NPD6895 Approved
0.7212 Intermediate Similarity NPD6896 Approved
0.7209 Intermediate Similarity NPD4727 Phase 1
0.7202 Intermediate Similarity NPD5177 Phase 3
0.7193 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD4010 Discontinued
0.7165 Intermediate Similarity NPD4580 Approved
0.7156 Intermediate Similarity NPD6625 Approved
0.7152 Intermediate Similarity NPD2492 Phase 1
0.7143 Intermediate Similarity NPD5089 Approved
0.7143 Intermediate Similarity NPD5090 Approved
0.7135 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD5604 Discontinued
0.7135 Intermediate Similarity NPD3124 Discontinued
0.7128 Intermediate Similarity NPD3450 Approved
0.7128 Intermediate Similarity NPD2493 Approved
0.7128 Intermediate Similarity NPD3452 Approved
0.7128 Intermediate Similarity NPD2494 Approved
0.7114 Intermediate Similarity NPD7827 Phase 1
0.7113 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD5976 Discontinued
0.7105 Intermediate Similarity NPD2490 Approved
0.7105 Intermediate Similarity NPD2488 Approved
0.7099 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD6842 Approved
0.709 Intermediate Similarity NPD6841 Approved
0.709 Intermediate Similarity NPD6843 Phase 3
0.709 Intermediate Similarity NPD7243 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD3705 Approved
0.7081 Intermediate Similarity NPD6996 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD4107 Approved
0.7073 Intermediate Similarity NPD4475 Approved
0.7073 Intermediate Similarity NPD4474 Approved
0.7059 Intermediate Similarity NPD7466 Approved
0.7041 Intermediate Similarity NPD1372 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD6688 Approved
0.7033 Intermediate Similarity NPD6687 Approved
0.7033 Intermediate Similarity NPD5242 Approved
0.703 Intermediate Similarity NPD3110 Approved
0.703 Intermediate Similarity NPD3109 Approved
0.703 Intermediate Similarity NPD2238 Phase 2
0.702 Intermediate Similarity NPD4583 Approved
0.702 Intermediate Similarity NPD4582 Approved
0.7017 Intermediate Similarity NPD7802 Discontinued
0.7005 Intermediate Similarity NPD8453 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD7549 Discontinued
0.6995 Remote Similarity NPD6365 Clinical (unspecified phase)
0.6989 Remote Similarity NPD4675 Approved
0.6989 Remote Similarity NPD6297 Approved
0.6989 Remote Similarity NPD4678 Approved
0.6982 Remote Similarity NPD1375 Discontinued
0.6971 Remote Similarity NPD6997 Phase 2
0.697 Remote Similarity NPD4004 Approved
0.697 Remote Similarity NPD4002 Approved
0.6963 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5754 Discontinued
0.6954 Remote Similarity NPD4482 Phase 3
0.6954 Remote Similarity NPD3647 Clinical (unspecified phase)
0.6931 Remote Similarity NPD6853 Approved
0.6931 Remote Similarity NPD6851 Approved
0.6927 Remote Similarity NPD7047 Phase 3
0.6927 Remote Similarity NPD5977 Approved
0.6927 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6927 Remote Similarity NPD5978 Approved
0.691 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6906 Remote Similarity NPD7400 Phase 3
0.6901 Remote Similarity NPD3060 Approved
0.6889 Remote Similarity NPD4967 Phase 2
0.6889 Remote Similarity NPD4965 Approved
0.6889 Remote Similarity NPD4966 Approved
0.6878 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6865 Remote Similarity NPD5602 Clinical (unspecified phase)
0.686 Remote Similarity NPD6748 Discontinued
0.686 Remote Similarity NPD6658 Clinical (unspecified phase)
0.6845 Remote Similarity NPD3885 Approved
0.6839 Remote Similarity NPD2421 Approved
0.6839 Remote Similarity NPD2420 Approved
0.6839 Remote Similarity NPD7213 Phase 3
0.6839 Remote Similarity NPD7212 Phase 2
0.6837 Remote Similarity NPD6621 Clinical (unspecified phase)
0.6836 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6834 Remote Similarity NPD3057 Approved
0.6832 Remote Similarity NPD4859 Phase 1
0.6816 Remote Similarity NPD37 Approved
0.6816 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6813 Remote Similarity NPD6234 Discontinued
0.6802 Remote Similarity NPD4162 Approved
0.68 Remote Similarity NPD7019 Approved
0.68 Remote Similarity NPD7447 Phase 1
0.68 Remote Similarity NPD7020 Approved
0.6796 Remote Similarity NPD4581 Clinical (unspecified phase)
0.678 Remote Similarity NPD3816 Phase 1
0.678 Remote Similarity NPD3815 Phase 1
0.6778 Remote Similarity NPD6668 Clinical (unspecified phase)
0.6774 Remote Similarity NPD3489 Phase 3
0.6772 Remote Similarity NPD7149 Clinical (unspecified phase)
0.6765 Remote Similarity NPD1753 Discontinued
0.6765 Remote Similarity NPD4108 Discontinued
0.6763 Remote Similarity NPD3977 Clinical (unspecified phase)
0.676 Remote Similarity NPD6072 Discontinued
0.676 Remote Similarity NPD7109 Clinical (unspecified phase)
0.676 Remote Similarity NPD6386 Approved
0.676 Remote Similarity NPD6385 Approved
0.676 Remote Similarity NPD7110 Phase 1
0.6759 Remote Similarity NPD6723 Discontinued
0.6753 Remote Similarity NPD3808 Clinical (unspecified phase)
0.675 Remote Similarity NPD3533 Approved
0.675 Remote Similarity NPD2972 Approved
0.6743 Remote Similarity NPD7837 Clinical (unspecified phase)
0.674 Remote Similarity NPD5353 Approved

Structure

External Identifiers

PubChem CID   338023
ChEMBL   CHEMBL2146603
ZINC  

Physicochemical Properties

Molecular Weight:  315.15
ALogP:  -0.4051
MLogP:  2.89
XLogP:  1.064
# Rotatable Bonds:  4
Polar Surface Area:  40.16
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  23

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Biological Activities  
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