Natural Product: NPC245816

Natural Product ID:  NPC245816
Common Name:   1-Ethyl-8-Methoxy-Beta-Carboline
IUPAC Name:   1-ethyl-8-methoxy-9H-pyrido[3,4-b]indole
Synonyms:  
Molecular Formula:   C14H14N2O
Standard InCHIKey:  XOBFACUQMALBEU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H14N2O/c1-3-11-13-10(7-8-15-11)9-5-4-6-12(17-2)14(9)16-13/h4-8,16H,3H2,1-2H3
Canonical SMILES:  COc1cccc2c1[nH]c1c2ccnc1CC
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
NPO2833 Cribricellina cribraria Species Catenicellidae Eukaryota PMID[1791472]
NPO25419 Pterocella vesiculosa Species NA NA New Zealand PMID[19220033]
NPO8372 Picrasma quassioides Species Simaroubaceae Eukaryota PMID[19586051]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1223 Organism Amorphotheca resinae Amorphotheca resinae MIC > 60 ug 16392793
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 25 % 18183025
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 48.4 % 23398362
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC = 7.5 ug PubChem BioAssay data set
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 36.4 % 18955522
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 50 % 20439607
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC > 60 ug 11141096
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 45.5 % 18720971
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 20.9 % PubChem BioAssay data set
NPT19 Organism Escherichia coli Escherichia coli MIC > 60 ug 20155932
NPT20 Organism Candida albicans Candida albicans MIC = 7.5 ug 8984155
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 60 ug 18347108
NPT168 Cell Line P388 Mus musculus IC50 > 12.5 ug/ml 23669354
NPT168 Cell Line P388 Mus musculus IC50 > 12.5 ug/ml 17488128

  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 NPC245816 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 NPC476138
0.9519 High Similarity NPC185782
0.9421 High Similarity NPC476287
0.9402 High Similarity NPC19872
0.9368 High Similarity NPC26679
0.9297 High Similarity NPC176538
0.9223 High Similarity NPC8022
0.9223 High Similarity NPC470799
0.9179 High Similarity NPC292958
0.914 High Similarity NPC476167
0.9086 High Similarity NPC192315
0.9043 High Similarity NPC232727
0.893 High Similarity NPC267928
0.878 High Similarity NPC469554
0.878 High Similarity NPC101543
0.8743 High Similarity NPC284678
0.8673 High Similarity NPC123976
0.8673 High Similarity NPC167860
0.8656 High Similarity NPC296527
0.8656 High Similarity NPC242928
0.8634 High Similarity NPC474798
0.861 High Similarity NPC76748
0.8564 High Similarity NPC92111
0.8557 High Similarity NPC475774
0.8477 Intermediate Similarity NPC287208
0.8474 Intermediate Similarity NPC307963
0.8454 Intermediate Similarity NPC314954
0.8418 Intermediate Similarity NPC285558
0.8385 Intermediate Similarity NPC251090
0.8384 Intermediate Similarity NPC82548
0.835 Intermediate Similarity NPC208284
0.8333 Intermediate Similarity NPC213530
0.8333 Intermediate Similarity NPC193267
0.8308 Intermediate Similarity NPC94157
0.83 Intermediate Similarity NPC5145
0.8289 Intermediate Similarity NPC176127
0.8286 Intermediate Similarity NPC260434
0.8278 Intermediate Similarity NPC118511
0.8256 Intermediate Similarity NPC128823
0.8252 Intermediate Similarity NPC310118
0.8252 Intermediate Similarity NPC60621
0.8233 Intermediate Similarity NPC148889
0.8232 Intermediate Similarity NPC475070
0.8219 Intermediate Similarity NPC26543
0.8214 Intermediate Similarity NPC121772
0.8214 Intermediate Similarity NPC315957
0.8196 Intermediate Similarity NPC13880
0.8191 Intermediate Similarity NPC48938
0.8187 Intermediate Similarity NPC84853
0.8182 Intermediate Similarity NPC223427
0.8173 Intermediate Similarity NPC122436
0.8159 Intermediate Similarity NPC174758
0.8141 Intermediate Similarity NPC470500
0.8135 Intermediate Similarity NPC324149
0.8093 Intermediate Similarity NPC198673
0.8093 Intermediate Similarity NPC475190
0.8069 Intermediate Similarity NPC174672
0.8069 Intermediate Similarity NPC473181
0.8057 Intermediate Similarity NPC110151
0.8053 Intermediate Similarity NPC84478
0.8036 Intermediate Similarity NPC53534
0.803 Intermediate Similarity NPC199667
0.8029 Intermediate Similarity NPC132642
0.7972 Intermediate Similarity NPC30540
0.7963 Intermediate Similarity NPC295228
0.7958 Intermediate Similarity NPC204717
0.7951 Intermediate Similarity NPC473180
0.794 Intermediate Similarity NPC329793
0.7931 Intermediate Similarity NPC476465
0.7929 Intermediate Similarity NPC168911
0.7929 Intermediate Similarity NPC239954
0.7923 Intermediate Similarity NPC274982
0.7917 Intermediate Similarity NPC314002
0.7913 Intermediate Similarity NPC162530
0.7913 Intermediate Similarity NPC266931
0.7906 Intermediate Similarity NPC220765
0.7903 Intermediate Similarity NPC473764
0.7903 Intermediate Similarity NPC314940
0.7889 Intermediate Similarity NPC187558
0.7889 Intermediate Similarity NPC287437
0.7876 Intermediate Similarity NPC171171
0.7874 Intermediate Similarity NPC470549
0.787 Intermediate Similarity NPC180504
0.7864 Intermediate Similarity NPC118940
0.786 Intermediate Similarity NPC476451
0.7853 Intermediate Similarity NPC161887
0.785 Intermediate Similarity NPC234197
0.7843 Intermediate Similarity NPC266249
0.7837 Intermediate Similarity NPC170114
0.7834 Intermediate Similarity NPC182222
0.7831 Intermediate Similarity NPC224764
0.7826 Intermediate Similarity NPC152620
0.7824 Intermediate Similarity NPC42591
0.7824 Intermediate Similarity NPC20249
0.7816 Intermediate Similarity NPC187501
0.7804 Intermediate Similarity NPC473185
0.7803 Intermediate Similarity NPC471891
0.78 Intermediate Similarity NPC18487
0.7799 Intermediate Similarity NPC304926
0.7799 Intermediate Similarity NPC476041
0.7783 Intermediate Similarity NPC470930
0.7778 Intermediate Similarity NPC316981
0.7767 Intermediate Similarity NPC123839
0.7766 Intermediate Similarity NPC99666
0.7763 Intermediate Similarity NPC235685
0.7761 Intermediate Similarity NPC329747
0.7749 Intermediate Similarity NPC42979
0.774 Intermediate Similarity NPC39500
0.7727 Intermediate Similarity NPC101350
0.7725 Intermediate Similarity NPC473179
0.7713 Intermediate Similarity NPC476518
0.7696 Intermediate Similarity NPC184964
0.7696 Intermediate Similarity NPC475253
0.7688 Intermediate Similarity NPC131017
0.7685 Intermediate Similarity NPC211813
0.7685 Intermediate Similarity NPC473761
0.7681 Intermediate Similarity NPC11464
0.7677 Intermediate Similarity NPC133140
0.7677 Intermediate Similarity NPC195268
0.7672 Intermediate Similarity NPC14651
0.7672 Intermediate Similarity NPC121658
0.7668 Intermediate Similarity NPC219963
0.7668 Intermediate Similarity NPC266551
0.7667 Intermediate Similarity NPC288349
0.7662 Intermediate Similarity NPC212213
0.7661 Intermediate Similarity NPC473186
0.7659 Intermediate Similarity NPC470164
0.7659 Intermediate Similarity NPC323345
0.7656 Intermediate Similarity NPC469592
0.7656 Intermediate Similarity NPC471080
0.7653 Intermediate Similarity NPC46580
0.7642 Intermediate Similarity NPC17565
0.7642 Intermediate Similarity NPC288987
0.7634 Intermediate Similarity NPC177404
0.7632 Intermediate Similarity NPC111624
0.7626 Intermediate Similarity NPC141053
0.7612 Intermediate Similarity NPC77555
0.761 Intermediate Similarity NPC165349
0.761 Intermediate Similarity NPC274291
0.761 Intermediate Similarity NPC329708
0.761 Intermediate Similarity NPC118832
0.761 Intermediate Similarity NPC264166
0.761 Intermediate Similarity NPC47059
0.7609 Intermediate Similarity NPC258048
0.7596 Intermediate Similarity NPC471304
0.7596 Intermediate Similarity NPC26872
0.7594 Intermediate Similarity NPC184408
0.7593 Intermediate Similarity NPC470018
0.7591 Intermediate Similarity NPC24802
0.7591 Intermediate Similarity NPC39370
0.7586 Intermediate Similarity NPC477019
0.7585 Intermediate Similarity NPC477111
0.7581 Intermediate Similarity NPC65277
0.758 Intermediate Similarity NPC49547
0.7579 Intermediate Similarity NPC252590
0.7577 Intermediate Similarity NPC314394
0.7573 Intermediate Similarity NPC476121
0.7573 Intermediate Similarity NPC476124
0.7573 Intermediate Similarity NPC477113
0.7569 Intermediate Similarity NPC179787
0.7569 Intermediate Similarity NPC201380
0.7568 Intermediate Similarity NPC26850
0.7566 Intermediate Similarity NPC1527
0.7559 Intermediate Similarity NPC208084
0.7558 Intermediate Similarity NPC74575
0.7558 Intermediate Similarity NPC6215
0.755 Intermediate Similarity NPC226202
0.7545 Intermediate Similarity NPC473312
0.7537 Intermediate Similarity NPC476578
0.7537 Intermediate Similarity NPC4071
0.7537 Intermediate Similarity NPC476582
0.7535 Intermediate Similarity NPC470501
0.7527 Intermediate Similarity NPC321911
0.7524 Intermediate Similarity NPC470505
0.7523 Intermediate Similarity NPC225279
0.7523 Intermediate Similarity NPC473183
0.7514 Intermediate Similarity NPC63545
0.7512 Intermediate Similarity NPC469594
0.7511 Intermediate Similarity NPC473184
0.75 Intermediate Similarity NPC475910
0.7488 Intermediate Similarity NPC472111
0.7488 Intermediate Similarity NPC470502
0.7487 Intermediate Similarity NPC134079
0.7477 Intermediate Similarity NPC257851
0.7476 Intermediate Similarity NPC53144
0.7473 Intermediate Similarity NPC469811
0.7465 Intermediate Similarity NPC245348
0.7465 Intermediate Similarity NPC473513
0.7464 Intermediate Similarity NPC209769
0.7463 Intermediate Similarity NPC106937
0.7456 Intermediate Similarity NPC63971
0.7456 Intermediate Similarity NPC91868
0.7454 Intermediate Similarity NPC144452
0.7454 Intermediate Similarity NPC280272
0.7452 Intermediate Similarity NPC313189
0.744 Intermediate Similarity NPC16452
0.744 Intermediate Similarity NPC476581
0.744 Intermediate Similarity NPC36229
0.7438 Intermediate Similarity NPC70956
0.7438 Intermediate Similarity NPC243834

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC245816 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
0.8571 High Similarity NPD1304 Clinical (unspecified phase)
0.8474 Intermediate Similarity NPD1038 Approved
0.8232 Intermediate Similarity NPD4795 Phase 2
0.8214 Intermediate Similarity NPD1739 Approved
0.8214 Intermediate Similarity NPD1740 Approved
0.8167 Intermediate Similarity NPD9705 Discontinued
0.8167 Intermediate Similarity NPD112 Approved
0.8163 Intermediate Similarity NPD3825 Phase 3
0.8037 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.8018 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.798 Intermediate Similarity NPD4548 Discontinued
0.798 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7971 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7959 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7952 Intermediate Similarity NPD1856 Discontinued
0.7934 Intermediate Similarity NPD5559 Phase 2
0.7931 Intermediate Similarity NPD2187 Approved
0.7931 Intermediate Similarity NPD5658 Approved
0.7931 Intermediate Similarity NPD2189 Approved
0.7923 Intermediate Similarity NPD5612 Discontinued
0.7874 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7847 Intermediate Similarity NPD4429 Discontinued
0.7828 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7828 Intermediate Similarity NPD3477 Phase 2
0.7816 Intermediate Similarity NPD5067 Phase 2
0.7816 Intermediate Similarity NPD5066 Phase 2
0.7794 Intermediate Similarity NPD1392 Approved
0.7748 Intermediate Similarity NPD4440 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD5482 Discontinued
0.7727 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD3402 Phase 1
0.7717 Intermediate Similarity NPD3006 Discontinued
0.7689 Intermediate Similarity NPD6242 Discontinued
0.7684 Intermediate Similarity NPD9690 Approved
0.7677 Intermediate Similarity NPD3921 Approved
0.7677 Intermediate Similarity NPD3923 Approved
0.7677 Intermediate Similarity NPD3922 Approved
0.7677 Intermediate Similarity NPD3924 Approved
0.7674 Intermediate Similarity NPD7603 Discontinued
0.7667 Intermediate Similarity NPD6643 Discontinued
0.7656 Intermediate Similarity NPD1322 Clinical (unspecified phase)
0.7653 Intermediate Similarity NPD1034 Phase 3
0.7653 Intermediate Similarity NPD1033 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD3939 Suspended
0.7644 Intermediate Similarity NPD4502 Phase 2
0.7642 Intermediate Similarity NPD6961 Discontinued
0.7636 Intermediate Similarity NPD4454 Phase 2
0.7624 Intermediate Similarity NPD5999 Phase 2
0.7621 Intermediate Similarity NPD7222 Phase 2
0.7619 Intermediate Similarity NPD565 Phase 2
0.761 Intermediate Similarity NPD4038 Approved
0.761 Intermediate Similarity NPD4039 Approved
0.761 Intermediate Similarity NPD4122 Approved
0.761 Intermediate Similarity NPD4037 Approved
0.761 Intermediate Similarity NPD32 Approved
0.761 Intermediate Similarity NPD4036 Approved
0.761 Intermediate Similarity NPD4035 Approved
0.761 Intermediate Similarity NPD31 Approved
0.761 Intermediate Similarity NPD4034 Approved
0.761 Intermediate Similarity NPD4033 Approved
0.7602 Intermediate Similarity NPD5256 Discontinued
0.7588 Intermediate Similarity NPD4372 Phase 1
0.7588 Intermediate Similarity NPD6569 Phase 2
0.7579 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7573 Intermediate Similarity NPD3003 Approved
0.757 Intermediate Similarity NPD4881 Clinical (unspecified phase)
0.7559 Intermediate Similarity NPD3514 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD1258 Discontinued
0.7545 Intermediate Similarity NPD7558 Phase 2
0.7525 Intermediate Similarity NPD7948 Phase 1
0.7511 Intermediate Similarity NPD7067 Approved
0.7511 Intermediate Similarity NPD7068 Approved
0.75 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.7489 Intermediate Similarity NPD5022 Discontinued
0.7489 Intermediate Similarity NPD3343 Phase 3
0.7487 Intermediate Similarity NPD4203 Approved
0.7487 Intermediate Similarity NPD4204 Approved
0.7476 Intermediate Similarity NPD4131 Phase 3
0.7474 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7473 Intermediate Similarity NPD2582 Approved
0.7473 Intermediate Similarity NPD2581 Approved
0.7466 Intermediate Similarity NPD6223 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD2125 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD802 Phase 2
0.7454 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD7452 Approved
0.7452 Intermediate Similarity NPD7453 Approved
0.7451 Intermediate Similarity NPD1768 Approved
0.7426 Intermediate Similarity NPD4418 Discontinued
0.7421 Intermediate Similarity NPD424 Approved
0.7421 Intermediate Similarity NPD425 Approved
0.7415 Intermediate Similarity NPD484 Approved
0.7409 Intermediate Similarity NPD6968 Phase 2
0.7409 Intermediate Similarity NPD6969 Phase 2
0.7409 Intermediate Similarity NPD5065 Approved
0.7404 Intermediate Similarity NPD5530 Phase 1
0.7398 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.7393 Intermediate Similarity NPD949 Phase 1
0.7384 Intermediate Similarity NPD4442 Phase 2
0.738 Intermediate Similarity NPD4558 Phase 2
0.7374 Intermediate Similarity NPD4889 Approved
0.7371 Intermediate Similarity NPD5903 Approved
0.7371 Intermediate Similarity NPD5902 Approved
0.7366 Intermediate Similarity NPD2176 Approved
0.7366 Intermediate Similarity NPD4958 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD2175 Phase 3
0.7366 Intermediate Similarity NPD2177 Approved
0.7363 Intermediate Similarity NPD5913 Phase 3
0.7363 Intermediate Similarity NPD5912 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD3815 Phase 1
0.7358 Intermediate Similarity NPD3816 Phase 1
0.7356 Intermediate Similarity NPD3397 Phase 2
0.7342 Intermediate Similarity NPD5450 Discontinued
0.7337 Intermediate Similarity NPD4921 Phase 3
0.7337 Intermediate Similarity NPD4919 Phase 3
0.7337 Intermediate Similarity NPD4920 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD5863 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1032 Phase 2
0.7321 Intermediate Similarity NPD5601 Phase 2
0.7315 Intermediate Similarity NPD7194 Discontinued
0.7304 Intermediate Similarity NPD5644 Phase 1
0.7303 Intermediate Similarity NPD5018 Phase 3
0.73 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD8442 Discontinued
0.7291 Intermediate Similarity NPD9695 Approved
0.7277 Intermediate Similarity NPD3330 Phase 1
0.7277 Intermediate Similarity NPD2951 Discontinued
0.7273 Intermediate Similarity NPD1273 Discontinued
0.7255 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD8512 Phase 3
0.7252 Intermediate Similarity NPD5479 Discontinued
0.7251 Intermediate Similarity NPD5529 Phase 1
0.7251 Intermediate Similarity NPD5528 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD706 Phase 1
0.7245 Intermediate Similarity NPD4072 Approved
0.7245 Intermediate Similarity NPD4071 Approved
0.724 Intermediate Similarity NPD6553 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD8403 Phase 1
0.7237 Intermediate Similarity NPD6473 Phase 1
0.7232 Intermediate Similarity NPD6741 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD1923 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD3938 Phase 1
0.7227 Intermediate Similarity NPD4890 Phase 2
0.7222 Intermediate Similarity NPD3440 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD3386 Phase 2
0.722 Intermediate Similarity NPD6131 Phase 1
0.7212 Intermediate Similarity NPD4343 Phase 1
0.7212 Intermediate Similarity NPD4344 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD1418 Phase 2
0.7208 Intermediate Similarity NPD3920 Phase 2
0.7208 Intermediate Similarity NPD1620 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD5930 Phase 3
0.7202 Intermediate Similarity NPD6856 Discontinued
0.7196 Intermediate Similarity NPD6202 Discontinued
0.7189 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7189 Intermediate Similarity NPD3354 Phase 2
0.7188 Intermediate Similarity NPD4885 Approved
0.7177 Intermediate Similarity NPD5669 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD6803 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD6147 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD6590 Discontinued
0.7168 Intermediate Similarity NPD1259 Discontinued
0.7157 Intermediate Similarity NPD9689 Approved
0.7156 Intermediate Similarity NPD2471 Approved
0.7156 Intermediate Similarity NPD6494 Phase 2
0.7156 Intermediate Similarity NPD2472 Approved
0.7156 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7156 Intermediate Similarity NPD4023 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD5936 Approved
0.715 Intermediate Similarity NPD5939 Approved
0.7143 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD8100 Phase 3
0.7137 Intermediate Similarity NPD7659 Discontinued
0.7136 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD6290 Phase 2
0.7119 Intermediate Similarity NPD5911 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7050 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7051 Phase 3
0.7114 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD7424 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD6568 Discontinued
0.711 Intermediate Similarity NPD6985 Discontinued
0.711 Intermediate Similarity NPD5632 Approved
0.7104 Intermediate Similarity NPD6306 Phase 2
0.7101 Intermediate Similarity NPD1229 Phase 2
0.7098 Intermediate Similarity NPD926 Approved
0.7098 Intermediate Similarity NPD925 Approved
0.7098 Intermediate Similarity NPD2780 Approved
0.7098 Intermediate Similarity NPD2782 Approved
0.7097 Intermediate Similarity NPD7112 Discontinued
0.7087 Intermediate Similarity NPD3395 Approved
0.7087 Intermediate Similarity NPD3396 Approved
0.7087 Intermediate Similarity NPD6251 Discontinued
0.7085 Intermediate Similarity NPD6595 Phase 3
0.7085 Intermediate Similarity NPD2600 Approved
0.7085 Intermediate Similarity NPD2599 Approved
0.7085 Intermediate Similarity NPD2601 Approved
0.7083 Intermediate Similarity NPD2616 Phase 3
0.7083 Intermediate Similarity NPD2615 Phase 3
0.7078 Intermediate Similarity NPD3763 Approved

Structure

External Identifiers

PubChem CID   45267155
ChEMBL   CHEMBL558541
ZINC  

Physicochemical Properties

Molecular Weight:  226.11
ALogP:  -0.7089
MLogP:  2.67
XLogP:  2.671
# Rotatable Bonds:  4
Polar Surface Area:  37.91
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  17

Download Data

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Biological Activities  
Similar NPs/Drugs