Natural Product: NPC43069

Natural Product ID:  NPC43069
Common Name:   Codeine
IUPAC Name:   (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol
Synonyms:   Codeine
Molecular Formula:   C18H21NO3
Standard InCHIKey:  OROGSEYTTFOCAN-DNJOTXNNSA-N
Standard InCHI:  InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
Canonical SMILES:  COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)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
NPO2466 Aloe microstigma Species Asphodelaceae Eukaryota UNPD*
NPO10176 Chrozophora prostrata Species Euphorbiaceae Eukaryota UNPD*
NPO9498 Papaver somniferum Species Papaveraceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[8260056]
NPO7312 Aplidium multiplicatum Species Polyclinidae Eukaryota UNPD*
NPO4758 Radix stephaniae cepharanthae Species Lymnaeidae Eukaryota TCMSP*
NPO29665 Papaveris pericarpium NA NA NA TCMSP*
NPO9498 Papaver somniferum Species Papaveraceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus ED50 = 14.5 mg/kg 6708055
NPT32 Organism Mus musculus Mus musculus ED50 = 1.4 mg/kg 6708055
NPT32 Organism Mus musculus Mus musculus ED50 = 6.8 mg/kg 6708055
NPT32 Organism Mus musculus Mus musculus ED50 = 10.3 umol/kg 6114178
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 75.1 umol/kg 6114178
NPT1774 Protein Family Sodium channel alpha subunits; brain (Types I, II, III) Homo sapiens Inhibition = 5.7 % 2579237
NPT32 Organism Mus musculus Mus musculus ED50 = 7.5 mg/kg 7365738
NPT32 Organism Mus musculus Mus musculus ED50 = 10.3 mg/kg 6681842
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 5.7 mg/kg 6681842
NPT32 Organism Mus musculus Mus musculus ED50 = 10.3 umol/kg 6864732
NPT271 Individual Protein Delta opioid receptor Homo sapiens IC50 > 9300 nM 12502358
NPT272 Individual Protein Kappa opioid receptor Homo sapiens IC50 = 15000 nM 12502358
NPT145 Individual Protein Mu opioid receptor Homo sapiens IC50 = 105 nM 12502358
NPT1258 Others Opioid receptors; mu & delta Homo sapiens Ratio > 89 12502358
NPT2859 Individual Protein Cytochrome P450 2D1 Rattus norvegicus IC50 = 1320000 nM 12502361
NPT2860 Individual Protein Cytochrome P450 2D2 Rattus norvegicus IC50 = 238000 nM 12502361
NPT2861 Individual Protein Cytochrome P450 2D3 Rattus norvegicus IC50 = 4089000 nM 12502361
NPT2862 Individual Protein Cytochrome P450 2D18 Rattus norvegicus IC50 = 2216000 nM 12502361
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 104000 nM 12502361
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 = 2600 nM 6325691
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 = 22000 nM 6325691
NPT2 Others Unspecified Ratio = 8.5 6325691
NPT32 Organism Mus musculus Mus musculus ED50 = 10.3 umol/kg 6166748
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 75 umol/kg 6166748
NPT32 Organism Mus musculus Mus musculus ED50 = 10.3 umol/kg 7310822
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 75 umol/kg 7310822
NPT32 Organism Mus musculus Mus musculus ED50 = 10.3 umol/kg 6767032
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 75 umol/kg 6767032
NPT2 Others Unspecified ED50 = 27 mg/kg 12540239
NPT2 Others Unspecified ED50 = 33 mg/kg 12540239
NPT2 Others Unspecified ED50 = 25 mg/kg 12540239
NPT32 Organism Mus musculus Mus musculus ED50 = 9.7 mg/kg 8386248
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 20 % 8386248
NPT32 Organism Mus musculus Mus musculus Mortality = 40 % 8386248
NPT32 Organism Mus musculus Mus musculus ED50 = 2.3 mg/kg 6292420
NPT32 Organism Mus musculus Mus musculus ED50 = 38.97 mg/kg 6292420
NPT2863 Protein Family Opioid receptor Mus musculus IC50 = 10000 nM 6292420
NPT2762 Organism Monkey Cercopithecidae ED50 = 7.5 mg/kg 1433169
NPT32 Organism Mus musculus Mus musculus ED50 = 10.2 umol/kg 7192744
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 75 umol/kg 7192744
NPT98 Individual Protein HERG Homo sapiens IC50 = 301995.17 nM 15911273
NPT2 Others Unspecified EC50 = 34700 nM 17962026
NPT145 Individual Protein Mu opioid receptor Homo sapiens EC50 = 6100 nM 17616524
NPT145 Individual Protein Mu opioid receptor Homo sapiens Ki = 6300 nM 17616524
NPT272 Individual Protein Kappa opioid receptor Homo sapiens Ki = 25411 nM 18311899
NPT271 Individual Protein Delta opioid receptor Homo sapiens Ki = 52207 nM 18311899
NPT145 Individual Protein Mu opioid receptor Homo sapiens Ki = 727 nM 18311899
NPT2 Others Unspecified Ratio Ki = 72 18311899
NPT2 Others Unspecified Ratio Ki = 35 18311899
NPT613 Individual Protein Solute carrier family 22 member 1 Homo sapiens Inhibition = 39.1 % 18788725
NPT938 Organism Cavia porcellus Cavia porcellus ED50 = 6.7 mg/kg 19332374
NPT938 Organism Cavia porcellus Cavia porcellus ED50 = 6.8 mg/kg 19339177
NPT32 Organism Mus musculus Mus musculus Activity = 5 15730259
NPT938 Organism Cavia porcellus Cavia porcellus ED50 = 6.8 mg/kg 19678644
NPT699 Individual Protein UDP-glucuronosyltransferase 1-10 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT695 Individual Protein UDP-glucuronosyltransferase 1-8 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT704 Individual Protein UDP-glucuronosyltransferase 2B15 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT694 Individual Protein UDP-glucuronosyltransferase 1-3 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT902 Individual Protein UDP-glucuronosyltransferase 1A4 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT697 Individual Protein UDP-glucuronosyltransferase 2B7 Homo sapiens Activity = 80 pm/min/mg 10836148
NPT697 Individual Protein UDP-glucuronosyltransferase 2B7 Homo sapiens Activity = 54 pm/min/mg 10836148
NPT697 Individual Protein UDP-glucuronosyltransferase 2B7 Homo sapiens Activity = 114 pm/min/mg 10836148
NPT697 Individual Protein UDP-glucuronosyltransferase 2B7 Homo sapiens Activity = 1.8 pm/min/mg 10836148
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 70 % 23517479
NPT2 Others Unspecified IC50 = 20910 nM 24183585
NPT2 Others Unspecified Ki = 6900 nM 24183585
NPT2 Others Unspecified IC50 = 4320 nM 24183585
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 30793.7 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 61441.5 nM PubChem BioAssay data set
NPT32 Organism Mus musculus Mus musculus ED50 = 5.8 mg/kg 430484
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity > 25 mm 309950
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity > 40 mm 309950
NPT32 Organism Mus musculus Mus musculus ED50 = 7.5 mg/kg 408488
NPT32 Organism Mus musculus Mus musculus ED50 = 4.5 mg/kg 408488
NPT938 Organism Cavia porcellus Cavia porcellus Inhibition > 80 % 836490
NPT938 Organism Cavia porcellus Cavia porcellus ED50 = 38.5 mg/kg 836490
NPT32 Organism Mus musculus Mus musculus ED50 = 7.5 mg/kg 209187
NPT32 Organism Mus musculus Mus musculus ED50 = 4.5 mg/kg 209187
NPT32 Organism Mus musculus Mus musculus ED50 = 7.5 mg/kg 413922
NPT32 Organism Mus musculus Mus musculus ED50 = 7.5 mg/kg 199728
NPT32 Organism Mus musculus Mus musculus ED50 = 4.5 mg/kg 199728
NPT32 Organism Mus musculus Mus musculus ED50 = 21.4 mg/kg 815550
NPT2 Others Unspecified Potency 48804.7 nM PubChem BioAssay data set

  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 NPC43069 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 NPC140577
0.9889 High Similarity NPC67346
0.9779 High Similarity NPC232533
0.9674 High Similarity NPC157958
0.967 High Similarity NPC97086
0.967 High Similarity NPC243483
0.9665 High Similarity NPC174783
0.9409 High Similarity NPC126211
0.9402 High Similarity NPC311781
0.8956 High Similarity NPC214629
0.8689 High Similarity NPC115906
0.8486 Intermediate Similarity NPC298339
0.8385 Intermediate Similarity NPC66909
0.8308 Intermediate Similarity NPC254045
0.8308 Intermediate Similarity NPC201055
0.8308 Intermediate Similarity NPC64576
0.8308 Intermediate Similarity NPC151470
0.8177 Intermediate Similarity NPC196231
0.8081 Intermediate Similarity NPC244191
0.8021 Intermediate Similarity NPC162694
0.801 Intermediate Similarity NPC279665
0.7959 Intermediate Similarity NPC33256
0.7946 Intermediate Similarity NPC124657
0.7906 Intermediate Similarity NPC305847
0.7879 Intermediate Similarity NPC293624
0.7865 Intermediate Similarity NPC302449
0.7842 Intermediate Similarity NPC35680
0.7826 Intermediate Similarity NPC475780
0.7796 Intermediate Similarity NPC3375
0.7796 Intermediate Similarity NPC255607
0.7783 Intermediate Similarity NPC476500
0.7766 Intermediate Similarity NPC94499
0.776 Intermediate Similarity NPC180756
0.776 Intermediate Similarity NPC323443
0.7696 Intermediate Similarity NPC80472
0.7634 Intermediate Similarity NPC226428
0.7549 Intermediate Similarity NPC286135
0.7526 Intermediate Similarity NPC284842
0.7525 Intermediate Similarity NPC141440
0.75 Intermediate Similarity NPC227683
0.7452 Intermediate Similarity NPC476495
0.7452 Intermediate Similarity NPC94687
0.7452 Intermediate Similarity NPC106840
0.7446 Intermediate Similarity NPC85747
0.7446 Intermediate Similarity NPC8337
0.7423 Intermediate Similarity NPC329969
0.7404 Intermediate Similarity NPC326895
0.7387 Intermediate Similarity NPC230098
0.7383 Intermediate Similarity NPC82056
0.7371 Intermediate Similarity NPC38964
0.7366 Intermediate Similarity NPC474427
0.7358 Intermediate Similarity NPC263212
0.7354 Intermediate Similarity NPC249274
0.7353 Intermediate Similarity NPC83019
0.7333 Intermediate Similarity NPC46990
0.7333 Intermediate Similarity NPC476496
0.733 Intermediate Similarity NPC35345
0.7323 Intermediate Similarity NPC233718
0.7312 Intermediate Similarity NPC475718
0.731 Intermediate Similarity NPC474745
0.731 Intermediate Similarity NPC27887
0.731 Intermediate Similarity NPC32154
0.731 Intermediate Similarity NPC149285
0.731 Intermediate Similarity NPC126284
0.7306 Intermediate Similarity NPC470324
0.7304 Intermediate Similarity NPC475713
0.7304 Intermediate Similarity NPC204580
0.7304 Intermediate Similarity NPC474432
0.7297 Intermediate Similarity NPC474556
0.7296 Intermediate Similarity NPC241704
0.7287 Intermediate Similarity NPC476443
0.7287 Intermediate Similarity NPC133817
0.7277 Intermediate Similarity NPC63152
0.7277 Intermediate Similarity NPC476569
0.7268 Intermediate Similarity NPC191012
0.7263 Intermediate Similarity NPC205167
0.7259 Intermediate Similarity NPC474325
0.7254 Intermediate Similarity NPC81218
0.7254 Intermediate Similarity NPC158376
0.7254 Intermediate Similarity NPC474931
0.7254 Intermediate Similarity NPC12053
0.7254 Intermediate Similarity NPC306555
0.7254 Intermediate Similarity NPC205421
0.7254 Intermediate Similarity NPC117188
0.7254 Intermediate Similarity NPC145832
0.7249 Intermediate Similarity NPC40389
0.7249 Intermediate Similarity NPC478159
0.7249 Intermediate Similarity NPC78359
0.7249 Intermediate Similarity NPC478161
0.7249 Intermediate Similarity NPC65490
0.7249 Intermediate Similarity NPC315707
0.7249 Intermediate Similarity NPC148014
0.724 Intermediate Similarity NPC96603
0.724 Intermediate Similarity NPC78222
0.724 Intermediate Similarity NPC212794
0.724 Intermediate Similarity NPC196447
0.724 Intermediate Similarity NPC13504
0.724 Intermediate Similarity NPC477563
0.724 Intermediate Similarity NPC253043
0.724 Intermediate Similarity NPC136508
0.724 Intermediate Similarity NPC306843
0.7236 Intermediate Similarity NPC248642
0.7233 Intermediate Similarity NPC267414
0.7222 Intermediate Similarity NPC99179
0.7216 Intermediate Similarity NPC41689
0.7208 Intermediate Similarity NPC237044
0.72 Intermediate Similarity NPC156576
0.72 Intermediate Similarity NPC104682
0.72 Intermediate Similarity NPC474746
0.72 Intermediate Similarity NPC475981
0.7196 Intermediate Similarity NPC147091
0.7188 Intermediate Similarity NPC324144
0.7188 Intermediate Similarity NPC1229
0.7181 Intermediate Similarity NPC115869
0.7179 Intermediate Similarity NPC329911
0.7179 Intermediate Similarity NPC255787
0.7173 Intermediate Similarity NPC27410
0.7173 Intermediate Similarity NPC166014
0.7173 Intermediate Similarity NPC18402
0.7173 Intermediate Similarity NPC4304
0.7172 Intermediate Similarity NPC294790
0.7172 Intermediate Similarity NPC320223
0.7172 Intermediate Similarity NPC114364
0.7172 Intermediate Similarity NPC118633
0.7172 Intermediate Similarity NPC148693
0.7158 Intermediate Similarity NPC180901
0.7158 Intermediate Similarity NPC300757
0.7157 Intermediate Similarity NPC128560
0.7157 Intermediate Similarity NPC199465
0.7157 Intermediate Similarity NPC304675
0.7157 Intermediate Similarity NPC229166
0.7151 Intermediate Similarity NPC469539
0.7151 Intermediate Similarity NPC469540
0.715 Intermediate Similarity NPC47191
0.715 Intermediate Similarity NPC207239
0.7143 Intermediate Similarity NPC129578
0.7143 Intermediate Similarity NPC131121
0.7143 Intermediate Similarity NPC150131
0.7143 Intermediate Similarity NPC186392
0.7143 Intermediate Similarity NPC60211
0.7136 Intermediate Similarity NPC24228
0.7129 Intermediate Similarity NPC8927
0.7128 Intermediate Similarity NPC470924
0.7128 Intermediate Similarity NPC160570
0.712 Intermediate Similarity NPC118804
0.712 Intermediate Similarity NPC288353
0.7114 Intermediate Similarity NPC475566
0.7114 Intermediate Similarity NPC244903
0.7108 Intermediate Similarity NPC226708
0.7101 Intermediate Similarity NPC73020
0.7101 Intermediate Similarity NPC14622
0.7101 Intermediate Similarity NPC215098
0.7101 Intermediate Similarity NPC46744
0.7101 Intermediate Similarity NPC124302
0.7101 Intermediate Similarity NPC70290
0.7098 Intermediate Similarity NPC472961
0.7098 Intermediate Similarity NPC472962
0.7098 Intermediate Similarity NPC59567
0.7092 Intermediate Similarity NPC168753
0.7092 Intermediate Similarity NPC118274
0.709 Intermediate Similarity NPC294511
0.709 Intermediate Similarity NPC121615
0.7083 Intermediate Similarity NPC135006
0.7081 Intermediate Similarity NPC316164
0.7077 Intermediate Similarity NPC150879
0.7077 Intermediate Similarity NPC298979
0.7077 Intermediate Similarity NPC181653
0.7077 Intermediate Similarity NPC475779
0.7077 Intermediate Similarity NPC190332
0.7074 Intermediate Similarity NPC476579
0.7071 Intermediate Similarity NPC315306
0.7071 Intermediate Similarity NPC313717
0.7068 Intermediate Similarity NPC129603
0.7068 Intermediate Similarity NPC268008
0.7068 Intermediate Similarity NPC476572
0.7065 Intermediate Similarity NPC246877
0.7065 Intermediate Similarity NPC27220
0.7065 Intermediate Similarity NPC116284
0.7062 Intermediate Similarity NPC225774
0.7056 Intermediate Similarity NPC193222
0.7056 Intermediate Similarity NPC239775
0.7053 Intermediate Similarity NPC99659
0.7053 Intermediate Similarity NPC325871
0.7048 Intermediate Similarity NPC475747
0.7047 Intermediate Similarity NPC153631
0.7047 Intermediate Similarity NPC472299
0.7047 Intermediate Similarity NPC228501
0.7044 Intermediate Similarity NPC214116
0.7044 Intermediate Similarity NPC228209
0.7035 Intermediate Similarity NPC316292
0.7035 Intermediate Similarity NPC222524
0.7035 Intermediate Similarity NPC474470
0.7033 Intermediate Similarity NPC226652
0.7033 Intermediate Similarity NPC72788
0.7033 Intermediate Similarity NPC120671
0.7033 Intermediate Similarity NPC314100
0.7031 Intermediate Similarity NPC7059
0.703 Intermediate Similarity NPC476273
0.7026 Intermediate Similarity NPC24264
0.7026 Intermediate Similarity NPC476432

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC43069 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
1.0 High Similarity NPD2972 Approved
1.0 High Similarity NPD3533 Approved
0.9889 High Similarity NPD3057 Approved
0.9779 High Similarity NPD2491 Approved
0.967 High Similarity NPD3448 Approved
0.9572 High Similarity NPD5676 Approved
0.9402 High Similarity NPD4482 Phase 3
0.9348 High Similarity NPD4107 Approved
0.904 High Similarity NPD5619 Clinical (unspecified phase)
0.8934 High Similarity NPD4111 Phase 1
0.8934 High Similarity NPD4665 Approved
0.8844 High Similarity NPD7907 Approved
0.8811 High Similarity NPD2490 Approved
0.8811 High Similarity NPD2488 Approved
0.8689 High Similarity NPD2971 Approved
0.8689 High Similarity NPD2968 Approved
0.8643 High Similarity NPD5980 Discovery
0.8486 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.8402 Intermediate Similarity NPD2493 Approved
0.8402 Intermediate Similarity NPD2494 Approved
0.8385 Intermediate Similarity NPD2975 Approved
0.8385 Intermediate Similarity NPD2974 Approved
0.8385 Intermediate Similarity NPD2973 Approved
0.8367 Intermediate Similarity NPD4582 Approved
0.8367 Intermediate Similarity NPD4583 Approved
0.8351 Intermediate Similarity NPD4580 Approved
0.8316 Intermediate Similarity NPD4004 Approved
0.8316 Intermediate Similarity NPD4002 Approved
0.8308 Intermediate Similarity NPD3450 Approved
0.8308 Intermediate Similarity NPD3452 Approved
0.8302 Intermediate Similarity NPD7048 Phase 3
0.8297 Intermediate Similarity NPD2969 Approved
0.8297 Intermediate Similarity NPD2970 Approved
0.8274 Intermediate Similarity NPD4040 Phase 1
0.8152 Intermediate Similarity NPD2489 Approved
0.8152 Intermediate Similarity NPD27 Approved
0.8142 Intermediate Similarity NPD3051 Approved
0.7906 Intermediate Similarity NPD7312 Approved
0.7906 Intermediate Similarity NPD7313 Approved
0.7906 Intermediate Similarity NPD7310 Approved
0.7906 Intermediate Similarity NPD7311 Approved
0.7865 Intermediate Similarity NPD7309 Approved
0.7861 Intermediate Similarity NPD4481 Phase 3
0.7788 Intermediate Similarity NPD7047 Phase 3
0.7629 Intermediate Similarity NPD4578 Approved
0.7629 Intermediate Similarity NPD4577 Approved
0.7602 Intermediate Similarity NPD4663 Approved
0.757 Intermediate Similarity NPD6997 Phase 2
0.7475 Intermediate Similarity NPD7906 Approved
0.7433 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7343 Intermediate Similarity NPD7497 Discontinued
0.732 Intermediate Similarity NPD2163 Approved
0.7306 Intermediate Similarity NPD2898 Approved
0.7292 Intermediate Similarity NPD6071 Discontinued
0.7249 Intermediate Similarity NPD2560 Approved
0.7249 Intermediate Similarity NPD2563 Approved
0.7222 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD3050 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD4420 Approved
0.7097 Intermediate Similarity NPD8404 Phase 2
0.7068 Intermediate Similarity NPD5977 Approved
0.7068 Intermediate Similarity NPD5978 Approved
0.7059 Intermediate Similarity NPD3808 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD7177 Discontinued
0.7005 Intermediate Similarity NPD3446 Phase 1
0.7 Intermediate Similarity NPD6385 Approved
0.7 Intermediate Similarity NPD7038 Approved
0.7 Intermediate Similarity NPD7039 Approved
0.7 Intermediate Similarity NPD6386 Approved
0.6976 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6968 Remote Similarity NPD3639 Approved
0.6968 Remote Similarity NPD3640 Phase 3
0.6968 Remote Similarity NPD3641 Approved
0.6967 Remote Similarity NPD5005 Approved
0.6967 Remote Similarity NPD5006 Approved
0.6961 Remote Similarity NPD6040 Clinical (unspecified phase)
0.6961 Remote Similarity NPD7291 Discontinued
0.6952 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6911 Remote Similarity NPD4773 Phase 2
0.6911 Remote Similarity NPD4772 Phase 2
0.6882 Remote Similarity NPD5241 Discontinued
0.6875 Remote Similarity NPD7577 Discontinued
0.6863 Remote Similarity NPD5036 Approved
0.6859 Remote Similarity NPD1337 Clinical (unspecified phase)
0.685 Remote Similarity NPD5844 Phase 1
0.6842 Remote Similarity NPD4361 Phase 2
0.6842 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6829 Remote Similarity NPD5037 Approved
0.6829 Remote Similarity NPD5038 Approved
0.6827 Remote Similarity NPD4466 Phase 1
0.6821 Remote Similarity NPD7833 Phase 2
0.6821 Remote Similarity NPD7831 Phase 2
0.6821 Remote Similarity NPD7832 Clinical (unspecified phase)
0.681 Remote Similarity NPD5564 Approved
0.6806 Remote Similarity NPD7701 Phase 2
0.6794 Remote Similarity NPD4360 Phase 2
0.6794 Remote Similarity NPD4363 Phase 3
0.6782 Remote Similarity NPD3823 Discontinued
0.6769 Remote Similarity NPD3882 Suspended
0.6766 Remote Similarity NPD6042 Phase 2
0.6766 Remote Similarity NPD42 Phase 2
0.6751 Remote Similarity NPD4666 Phase 3
0.6748 Remote Similarity NPD8434 Phase 2
0.6748 Remote Similarity NPD3863 Clinical (unspecified phase)
0.6739 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6739 Remote Similarity NPD6028 Clinical (unspecified phase)
0.673 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6719 Remote Similarity NPD824 Approved
0.6719 Remote Similarity NPD2651 Approved
0.6719 Remote Similarity NPD2649 Approved
0.6716 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6703 Remote Similarity NPD3140 Approved
0.6703 Remote Similarity NPD3142 Approved
0.6701 Remote Similarity NPD5709 Phase 3
0.6701 Remote Similarity NPD6844 Discontinued
0.67 Remote Similarity NPD6168 Clinical (unspecified phase)
0.67 Remote Similarity NPD6167 Clinical (unspecified phase)
0.67 Remote Similarity NPD6166 Phase 2
0.6684 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6683 Remote Similarity NPD5312 Approved
0.6683 Remote Similarity NPD5313 Approved
0.6683 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6683 Remote Similarity NPD7315 Approved
0.6683 Remote Similarity NPD6836 Approved
0.6667 Remote Similarity NPD5029 Approved
0.6667 Remote Similarity NPD6667 Approved
0.6667 Remote Similarity NPD5030 Phase 2
0.6667 Remote Similarity NPD5031 Approved
0.6667 Remote Similarity NPD5494 Approved
0.6667 Remote Similarity NPD6666 Approved
0.6667 Remote Similarity NPD8469 Approved
0.6667 Remote Similarity NPD5027 Approved
0.6667 Remote Similarity NPD5772 Approved
0.6667 Remote Similarity NPD5773 Approved
0.6651 Remote Similarity NPD4859 Phase 1
0.665 Remote Similarity NPD8054 Approved
0.665 Remote Similarity NPD8053 Approved
0.665 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7110 Phase 1
0.6649 Remote Similarity NPD7109 Clinical (unspecified phase)
0.6649 Remote Similarity NPD6873 Phase 2
0.6649 Remote Similarity NPD4628 Phase 3
0.6636 Remote Similarity NPD5457 Discontinued
0.6636 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6634 Remote Similarity NPD4954 Approved
0.6634 Remote Similarity NPD5026 Approved
0.6634 Remote Similarity NPD5034 Approved
0.6634 Remote Similarity NPD36 Approved
0.6634 Remote Similarity NPD5028 Approved
0.6634 Remote Similarity NPD4955 Approved
0.6619 Remote Similarity NPD5968 Phase 3
0.6619 Remote Similarity NPD7296 Approved
0.6616 Remote Similarity NPD919 Approved
0.6615 Remote Similarity NPD1934 Approved
0.6615 Remote Similarity NPD7427 Discontinued
0.6612 Remote Similarity NPD3110 Approved
0.6612 Remote Similarity NPD3109 Approved
0.6602 Remote Similarity NPD4078 Clinical (unspecified phase)
0.6602 Remote Similarity NPD5035 Approved
0.6597 Remote Similarity NPD4584 Approved
0.6595 Remote Similarity NPD7922 Phase 1
0.659 Remote Similarity NPD8319 Approved
0.659 Remote Similarity NPD8320 Phase 1
0.6582 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6582 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6569 Remote Similarity NPD4956 Approved
0.6566 Remote Similarity NPD8005 Clinical (unspecified phase)
0.6562 Remote Similarity NPD3647 Clinical (unspecified phase)
0.656 Remote Similarity NPD8161 Suspended
0.6558 Remote Similarity NPD6780 Approved
0.6558 Remote Similarity NPD6778 Approved
0.6558 Remote Similarity NPD6777 Approved
0.6558 Remote Similarity NPD6781 Approved
0.6558 Remote Similarity NPD6779 Approved
0.6558 Remote Similarity NPD6782 Approved
0.6558 Remote Similarity NPD6776 Approved
0.6557 Remote Similarity NPD4413 Clinical (unspecified phase)
0.6553 Remote Similarity NPD7549 Discontinued
0.6553 Remote Similarity NPD5032 Approved
0.655 Remote Similarity NPD1247 Approved
0.655 Remote Similarity NPD8127 Discontinued
0.6548 Remote Similarity NPD5353 Approved
0.6545 Remote Similarity NPD2421 Approved
0.6545 Remote Similarity NPD2420 Approved
0.6543 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6538 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6535 Remote Similarity NPD7278 Phase 2
0.6535 Remote Similarity NPD7279 Phase 2
0.6533 Remote Similarity NPD6862 Phase 2
0.6531 Remote Similarity NPD7248 Discontinued
0.6524 Remote Similarity NPD6625 Approved
0.652 Remote Similarity NPD8155 Clinical (unspecified phase)
0.652 Remote Similarity NPD8156 Discontinued
0.6517 Remote Similarity NPD5710 Approved
0.6517 Remote Similarity NPD5711 Approved
0.6515 Remote Similarity NPD4947 Clinical (unspecified phase)
0.6512 Remote Similarity NPD7237 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5284371
ChEMBL   CHEMBL485
ZINC  

Physicochemical Properties

Molecular Weight:  299.15
ALogP:  -0.19
MLogP:  3
XLogP:  0.433
# Rotatable Bonds:  4
Polar Surface Area:  41.93
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  22

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Structure MOL file  
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Biological Activities  
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