Natural Product: NPC206201

Natural Product ID:  NPC206201
Common Name:   2-[2-(1,3-Benzodioxol-5-Yl)Ethyl]Quinoline
IUPAC Name:   2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline
Synonyms:   2-(3,4-Methylenedioxyphenylethyl)Quinoleine
Molecular Formula:   C18H15NO2
Standard InCHIKey:  ZDRLPWFUZOCXJT-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C18H15NO2/c1-2-4-16-14(3-1)7-9-15(19-16)8-5-13-6-10-17-18(11-13)21-12-20-17/h1-4,6-7,9-11H,5,8,12H2
Canonical SMILES:  C1Oc2c(O1)cc(cc2)CCc1ccc2c(n1)cccc2
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
NPO14518 Ateleia herbert-smithii Species Fabaceae Eukaryota UNPD*
NPO18897 Cephalosporium gregatum Species NA Eukaryota UNPD*
NPO19680 Haminoea orteai Species Haminoeidae Eukaryota UNPD*
NPO17983 Nigrosabulum globosum Species Bionectriaceae Eukaryota UNPD*
NPO16032 Xanthoparmelia quintaria Species Parmeliaceae Eukaryota UNPD*
NPO17868 Eucryphia glutinosa Species Cunoniaceae Eukaryota UNPD*
NPO83 Saccharina angustata Species Laminariaceae Eukaryota UNPD*
NPO16708 Pinus abies Species Pinaceae Eukaryota UNPD*
NPO18972 Astropecten indicus Species Astropectinidae Eukaryota UNPD*
NPO19489 Tylosema esculentum Species Fabaceae Eukaryota UNPD*
NPO18402 Tecoma peroba Species Bignoniaceae Eukaryota UNPD*
NPO16452 Iochroma coccineum Species Solanaceae Eukaryota UNPD*
NPO13657 Peperomia pellucida Species Piperaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3954 Organism Human T-lymphotropic virus 1 Human T-lymphotropic virus 1 Inhibition = 50 % 12617915
NPT1208 Organism Leishmania braziliensis Leishmania braziliensis IC90 = 100 ug/ml 10.1021/np50099a013
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC90 = 100 ug/ml 10.1021/np50099a013

  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 NPC206201 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
0.9758 High Similarity NPC204385
0.9448 High Similarity NPC312872
0.8989 High Similarity NPC234197
0.8674 High Similarity NPC477019
0.8659 High Similarity NPC26850
0.8495 Intermediate Similarity NPC135549
0.8495 Intermediate Similarity NPC313189
0.8368 Intermediate Similarity NPC296482
0.8368 Intermediate Similarity NPC171409
0.8368 Intermediate Similarity NPC202768
0.8368 Intermediate Similarity NPC96405
0.8368 Intermediate Similarity NPC53069
0.8364 Intermediate Similarity NPC26872
0.836 Intermediate Similarity NPC188420
0.8287 Intermediate Similarity NPC133140
0.8287 Intermediate Similarity NPC195268
0.8272 Intermediate Similarity NPC251160
0.8235 Intermediate Similarity NPC118511
0.8229 Intermediate Similarity NPC271215
0.8229 Intermediate Similarity NPC149471
0.8187 Intermediate Similarity NPC235076
0.8118 Intermediate Similarity NPC476582
0.8118 Intermediate Similarity NPC4071
0.8118 Intermediate Similarity NPC476578
0.8085 Intermediate Similarity NPC199277
0.8085 Intermediate Similarity NPC135887
0.8061 Intermediate Similarity NPC23614
0.8061 Intermediate Similarity NPC204446
0.8061 Intermediate Similarity NPC100079
0.802 Intermediate Similarity NPC46451
0.8 Intermediate Similarity NPC476581
0.8 Intermediate Similarity NPC36229
0.8 Intermediate Similarity NPC16452
0.7977 Intermediate Similarity NPC24954
0.7965 Intermediate Similarity NPC177404
0.7929 Intermediate Similarity NPC148409
0.7917 Intermediate Similarity NPC474595
0.79 Intermediate Similarity NPC118121
0.7853 Intermediate Similarity NPC223427
0.7842 Intermediate Similarity NPC31930
0.7807 Intermediate Similarity NPC131017
0.7778 Intermediate Similarity NPC253675
0.7772 Intermediate Similarity NPC66083
0.7766 Intermediate Similarity NPC266931
0.7747 Intermediate Similarity NPC176127
0.773 Intermediate Similarity NPC242928
0.7723 Intermediate Similarity NPC280272
0.7722 Intermediate Similarity NPC283152
0.7716 Intermediate Similarity NPC202605
0.7716 Intermediate Similarity NPC112206
0.7708 Intermediate Similarity NPC66815
0.7705 Intermediate Similarity NPC84478
0.7705 Intermediate Similarity NPC62069
0.7692 Intermediate Similarity NPC474798
0.7684 Intermediate Similarity NPC72211
0.767 Intermediate Similarity NPC278525
0.7668 Intermediate Similarity NPC162484
0.7667 Intermediate Similarity NPC288943
0.7663 Intermediate Similarity NPC42591
0.7632 Intermediate Similarity NPC243834
0.7632 Intermediate Similarity NPC70956
0.7614 Intermediate Similarity NPC290689
0.7606 Intermediate Similarity NPC280964
0.7606 Intermediate Similarity NPC141915
0.7606 Intermediate Similarity NPC114335
0.7604 Intermediate Similarity NPC11017
0.7604 Intermediate Similarity NPC329747
0.7588 Intermediate Similarity NPC474594
0.7582 Intermediate Similarity NPC472168
0.7579 Intermediate Similarity NPC70259
0.7568 Intermediate Similarity NPC249405
0.7566 Intermediate Similarity NPC279401
0.7566 Intermediate Similarity NPC79293
0.756 Intermediate Similarity NPC22481
0.7541 Intermediate Similarity NPC287588
0.7538 Intermediate Similarity NPC285558
0.7537 Intermediate Similarity NPC174049
0.7526 Intermediate Similarity NPC205934
0.7526 Intermediate Similarity NPC43787
0.7525 Intermediate Similarity NPC219664
0.7513 Intermediate Similarity NPC329793
0.7513 Intermediate Similarity NPC470931
0.75 Intermediate Similarity NPC236668
0.75 Intermediate Similarity NPC304183
0.75 Intermediate Similarity NPC258773
0.7488 Intermediate Similarity NPC108342
0.7474 Intermediate Similarity NPC475190
0.7474 Intermediate Similarity NPC267423
0.7463 Intermediate Similarity NPC146976
0.7462 Intermediate Similarity NPC193777
0.7461 Intermediate Similarity NPC128823
0.7461 Intermediate Similarity NPC287437
0.7453 Intermediate Similarity NPC182907
0.7453 Intermediate Similarity NPC189903
0.745 Intermediate Similarity NPC203168
0.7447 Intermediate Similarity NPC296527
0.7446 Intermediate Similarity NPC478032
0.7446 Intermediate Similarity NPC222592
0.7446 Intermediate Similarity NPC168486
0.7437 Intermediate Similarity NPC199667
0.7436 Intermediate Similarity NPC291535
0.7436 Intermediate Similarity NPC475112
0.7436 Intermediate Similarity NPC475085
0.7423 Intermediate Similarity NPC176538
0.7419 Intermediate Similarity NPC179704
0.7418 Intermediate Similarity NPC166722
0.7413 Intermediate Similarity NPC162530
0.7411 Intermediate Similarity NPC472111
0.7411 Intermediate Similarity NPC474145
0.7411 Intermediate Similarity NPC475841
0.7407 Intermediate Similarity NPC76748
0.7398 Intermediate Similarity NPC475774
0.7396 Intermediate Similarity NPC60553
0.7387 Intermediate Similarity NPC201697
0.7387 Intermediate Similarity NPC473181
0.7387 Intermediate Similarity NPC469589
0.7385 Intermediate Similarity NPC476044
0.7385 Intermediate Similarity NPC232727
0.7382 Intermediate Similarity NPC307963
0.7368 Intermediate Similarity NPC92111
0.7363 Intermediate Similarity NPC316981
0.736 Intermediate Similarity NPC470930
0.7358 Intermediate Similarity NPC267928
0.7356 Intermediate Similarity NPC200888
0.7353 Intermediate Similarity NPC473822
0.7351 Intermediate Similarity NPC283810
0.7351 Intermediate Similarity NPC85613
0.735 Intermediate Similarity NPC471304
0.735 Intermediate Similarity NPC167860
0.735 Intermediate Similarity NPC470020
0.735 Intermediate Similarity NPC123976
0.7349 Intermediate Similarity NPC210296
0.7347 Intermediate Similarity NPC295898
0.7337 Intermediate Similarity NPC82548
0.7337 Intermediate Similarity NPC475910
0.7324 Intermediate Similarity NPC295228
0.7323 Intermediate Similarity NPC300156
0.7323 Intermediate Similarity NPC323345
0.7323 Intermediate Similarity NPC470164
0.7323 Intermediate Similarity NPC476106
0.7316 Intermediate Similarity NPC312531
0.7313 Intermediate Similarity NPC208284
0.731 Intermediate Similarity NPC245816
0.731 Intermediate Similarity NPC476138
0.7306 Intermediate Similarity NPC251090
0.7304 Intermediate Similarity NPC473513
0.7302 Intermediate Similarity NPC69213
0.7302 Intermediate Similarity NPC168922
0.73 Intermediate Similarity NPC174758
0.7295 Intermediate Similarity NPC210434
0.7295 Intermediate Similarity NPC122463
0.7286 Intermediate Similarity NPC4687
0.7277 Intermediate Similarity NPC472098
0.7277 Intermediate Similarity NPC469390
0.7277 Intermediate Similarity NPC48353
0.7273 Intermediate Similarity NPC264166
0.7273 Intermediate Similarity NPC274291
0.7273 Intermediate Similarity NPC47059
0.7273 Intermediate Similarity NPC118832
0.7273 Intermediate Similarity NPC329708
0.7273 Intermediate Similarity NPC165349
0.7268 Intermediate Similarity NPC173080
0.7249 Intermediate Similarity NPC61350
0.7248 Intermediate Similarity NPC124313
0.7241 Intermediate Similarity NPC471080
0.7241 Intermediate Similarity NPC469592
0.7236 Intermediate Similarity NPC45190
0.7235 Intermediate Similarity NPC207283
0.7235 Intermediate Similarity NPC84164
0.723 Intermediate Similarity NPC473182
0.7225 Intermediate Similarity NPC296742
0.7225 Intermediate Similarity NPC112676
0.7225 Intermediate Similarity NPC474904
0.722 Intermediate Similarity NPC303374
0.7217 Intermediate Similarity NPC476999
0.7208 Intermediate Similarity NPC470586
0.7204 Intermediate Similarity NPC88363
0.7204 Intermediate Similarity NPC476997
0.72 Intermediate Similarity NPC249583
0.7192 Intermediate Similarity NPC264176
0.7192 Intermediate Similarity NPC94157
0.7192 Intermediate Similarity NPC473180
0.7186 Intermediate Similarity NPC164374
0.7186 Intermediate Similarity NPC137929
0.7184 Intermediate Similarity NPC473041
0.7184 Intermediate Similarity NPC96321
0.7173 Intermediate Similarity NPC224293
0.717 Intermediate Similarity NPC476996
0.717 Intermediate Similarity NPC476998
0.7166 Intermediate Similarity NPC5167
0.7157 Intermediate Similarity NPC19872
0.7157 Intermediate Similarity NPC478074
0.7151 Intermediate Similarity NPC285941
0.715 Intermediate Similarity NPC193267
0.715 Intermediate Similarity NPC99666
0.715 Intermediate Similarity NPC213530
0.715 Intermediate Similarity NPC473179
0.7143 Intermediate Similarity NPC127085
0.7143 Intermediate Similarity NPC87413
0.7136 Intermediate Similarity NPC217176

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC206201 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
0.8824 High Similarity NPD3920 Phase 2
0.8368 Intermediate Similarity NPD3815 Phase 1
0.8368 Intermediate Similarity NPD3816 Phase 1
0.8287 Intermediate Similarity NPD3924 Approved
0.8287 Intermediate Similarity NPD3922 Approved
0.8287 Intermediate Similarity NPD3923 Approved
0.8287 Intermediate Similarity NPD3921 Approved
0.8254 Intermediate Similarity NPD5658 Approved
0.8202 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.8066 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.8041 Intermediate Similarity NPD7571 Clinical (unspecified phase)
0.802 Intermediate Similarity NPD3763 Approved
0.7957 Intermediate Similarity NPD5512 Phase 3
0.7903 Intermediate Similarity NPD4418 Discontinued
0.7861 Intermediate Similarity NPD6550 Discontinued
0.7854 Intermediate Similarity NPD4885 Approved
0.7819 Intermediate Similarity NPD6988 Phase 1
0.7809 Intermediate Similarity NPD1923 Clinical (unspecified phase)
0.7807 Intermediate Similarity NPD6590 Discontinued
0.7732 Intermediate Similarity NPD7222 Phase 2
0.7713 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7663 Intermediate Similarity NPD4889 Approved
0.7644 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7641 Intermediate Similarity NPD5429 Discontinued
0.7619 Intermediate Similarity NPD6491 Clinical (unspecified phase)
0.7604 Intermediate Similarity NPD6219 Discontinued
0.76 Intermediate Similarity NPD2358 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD7453 Approved
0.7551 Intermediate Similarity NPD7452 Approved
0.7526 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7513 Intermediate Similarity NPD6569 Phase 2
0.75 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4204 Approved
0.75 Intermediate Similarity NPD4203 Approved
0.7486 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7476 Intermediate Similarity NPD7719 Discontinued
0.7451 Intermediate Similarity NPD5930 Phase 3
0.7451 Intermediate Similarity NPD5070 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD4724 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD5669 Clinical (unspecified phase)
0.7382 Intermediate Similarity NPD1038 Approved
0.7382 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.738 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD5903 Approved
0.7376 Intermediate Similarity NPD5902 Approved
0.7374 Intermediate Similarity NPD2782 Approved
0.7374 Intermediate Similarity NPD2780 Approved
0.7371 Intermediate Similarity NPD3825 Phase 3
0.7371 Intermediate Similarity NPD5805 Approved
0.7344 Intermediate Similarity NPD6251 Discontinued
0.734 Intermediate Similarity NPD5612 Discontinued
0.7323 Intermediate Similarity NPD5530 Phase 1
0.7323 Intermediate Similarity NPD4305 Clinical (unspecified phase)
0.7323 Intermediate Similarity NPD6150 Discontinued
0.7323 Intermediate Similarity NPD3842 Clinical (unspecified phase)
0.7316 Intermediate Similarity NPD2410 Phase 2
0.7313 Intermediate Similarity NPD4502 Phase 2
0.7312 Intermediate Similarity NPD3386 Phase 2
0.7303 Intermediate Similarity NPD112 Approved
0.7303 Intermediate Similarity NPD9705 Discontinued
0.7302 Intermediate Similarity NPD2749 Discontinued
0.7295 Intermediate Similarity NPD1954 Phase 1
0.7293 Intermediate Similarity NPD2781 Approved
0.7277 Intermediate Similarity NPD7069 Discontinued
0.7273 Intermediate Similarity NPD4034 Approved
0.7273 Intermediate Similarity NPD5522 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD32 Approved
0.7273 Intermediate Similarity NPD4122 Approved
0.7273 Intermediate Similarity NPD4035 Approved
0.7273 Intermediate Similarity NPD4038 Approved
0.7273 Intermediate Similarity NPD4036 Approved
0.7273 Intermediate Similarity NPD4039 Approved
0.7273 Intermediate Similarity NPD4037 Approved
0.7273 Intermediate Similarity NPD4033 Approved
0.7273 Intermediate Similarity NPD31 Approved
0.7268 Intermediate Similarity NPD677 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD6769 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD7395 Discontinued
0.7249 Intermediate Similarity NPD2917 Approved
0.7243 Intermediate Similarity NPD6159 Phase 2
0.7236 Intermediate Similarity NPD3003 Approved
0.7236 Intermediate Similarity NPD2060 Approved
0.7235 Intermediate Similarity NPD6517 Phase 3
0.723 Intermediate Similarity NPD6494 Phase 2
0.7228 Intermediate Similarity NPD5602 Clinical (unspecified phase)
0.722 Intermediate Similarity NPD3440 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD4083 Discontinued
0.7206 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD4927 Discontinued
0.7172 Intermediate Similarity NPD6477 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD6208 Discontinued
0.7159 Intermediate Similarity NPD6476 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD2883 Discontinued
0.7159 Intermediate Similarity NPD6158 Phase 2
0.715 Intermediate Similarity NPD8403 Phase 1
0.7143 Intermediate Similarity NPD6220 Phase 3
0.7136 Intermediate Similarity NPD6991 Approved
0.7128 Intermediate Similarity NPD3477 Phase 2
0.7128 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD3257 Approved
0.7116 Intermediate Similarity NPD6964 Approved
0.7116 Intermediate Similarity NPD6963 Approved
0.7107 Intermediate Similarity NPD3541 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD3397 Phase 2
0.71 Intermediate Similarity NPD4795 Phase 2
0.7098 Intermediate Similarity NPD4926 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD2334 Discontinued
0.7089 Intermediate Similarity NPD1900 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD4925 Approved
0.7077 Intermediate Similarity NPD3396 Approved
0.7077 Intermediate Similarity NPD3395 Approved
0.7071 Intermediate Similarity NPD1740 Approved
0.7071 Intermediate Similarity NPD1739 Approved
0.7069 Intermediate Similarity NPD1305 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD7194 Discontinued
0.7062 Intermediate Similarity NPD2882 Phase 1
0.7059 Intermediate Similarity NPD5066 Phase 2
0.7059 Intermediate Similarity NPD5416 Discontinued
0.7059 Intermediate Similarity NPD5067 Phase 2
0.7059 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD4996 Approved
0.7056 Intermediate Similarity NPD4995 Approved
0.7048 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD6281 Approved
0.7033 Intermediate Similarity NPD7678 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD5680 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD5866 Approved
0.7021 Intermediate Similarity NPD1503 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD1768 Approved
0.702 Intermediate Similarity NPD4548 Discontinued
0.7019 Intermediate Similarity NPD3354 Phase 2
0.7018 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD6147 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4875 Phase 3
0.7 Intermediate Similarity NPD4876 Phase 3
0.6995 Remote Similarity NPD3349 Phase 2
0.6995 Remote Similarity NPD7672 Approved
0.6995 Remote Similarity NPD7671 Approved
0.6995 Remote Similarity NPD5863 Clinical (unspecified phase)
0.699 Remote Similarity NPD3810 Clinical (unspecified phase)
0.6986 Remote Similarity NPD3258 Approved
0.6986 Remote Similarity NPD7025 Clinical (unspecified phase)
0.6979 Remote Similarity NPD4375 Approved
0.6979 Remote Similarity NPD5256 Discontinued
0.6971 Remote Similarity NPD7823 Clinical (unspecified phase)
0.6968 Remote Similarity NPD3503 Approved
0.6968 Remote Similarity NPD3504 Approved
0.6967 Remote Similarity NPD6736 Discontinued
0.6959 Remote Similarity NPD3408 Clinical (unspecified phase)
0.6957 Remote Similarity NPD4897 Phase 2
0.6957 Remote Similarity NPD7538 Clinical (unspecified phase)
0.6957 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6952 Remote Similarity NPD6242 Discontinued
0.694 Remote Similarity NPD5604 Discontinued
0.6939 Remote Similarity NPD5575 Clinical (unspecified phase)
0.6938 Remote Similarity NPD4429 Discontinued
0.6938 Remote Similarity NPD6985 Discontinued
0.6937 Remote Similarity NPD6230 Discontinued
0.6933 Remote Similarity NPD6503 Clinical (unspecified phase)
0.6931 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6931 Remote Similarity NPD1620 Clinical (unspecified phase)
0.693 Remote Similarity NPD7589 Clinical (unspecified phase)
0.693 Remote Similarity NPD7567 Approved
0.6927 Remote Similarity NPD7424 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1924 Approved
0.6919 Remote Similarity NPD7948 Phase 1
0.6916 Remote Similarity NPD4328 Approved
0.6916 Remote Similarity NPD6553 Clinical (unspecified phase)
0.6912 Remote Similarity NPD2187 Approved
0.6912 Remote Similarity NPD5529 Phase 1
0.6912 Remote Similarity NPD2189 Approved
0.6912 Remote Similarity NPD5528 Clinical (unspecified phase)
0.6909 Remote Similarity NPD5905 Phase 1
0.69 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6898 Remote Similarity NPD6962 Phase 2
0.6893 Remote Similarity NPD7468 Clinical (unspecified phase)
0.6889 Remote Similarity NPD6243 Phase 3
0.6889 Remote Similarity NPD6244 Phase 3
0.6888 Remote Similarity NPD4372 Phase 1
0.6887 Remote Similarity NPD6160 Clinical (unspecified phase)
0.6887 Remote Similarity NPD1856 Discontinued
0.6884 Remote Similarity NPD5559 Phase 2
0.6884 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6881 Remote Similarity NPD6324 Phase 1
0.6878 Remote Similarity NPD4071 Approved
0.6878 Remote Similarity NPD4072 Approved
0.6878 Remote Similarity NPD5670 Approved
0.6869 Remote Similarity NPD5582 Discontinued
0.6866 Remote Similarity NPD7796 Approved
0.6866 Remote Similarity NPD4511 Phase 1
0.6866 Remote Similarity NPD7797 Approved
0.6863 Remote Similarity NPD6290 Phase 2
0.6862 Remote Similarity NPD9690 Approved
0.6859 Remote Similarity NPD3037 Phase 1
0.6857 Remote Similarity NPD5632 Approved
0.6857 Remote Similarity NPD8109 Clinical (unspecified phase)
0.6856 Remote Similarity NPD2383 Phase 1
0.6853 Remote Similarity NPD4551 Phase 2
0.685 Remote Similarity NPD2176 Approved
0.685 Remote Similarity NPD2177 Approved

Structure

External Identifiers

PubChem CID   10084876
ChEMBL   CHEMBL174146
ZINC  

Physicochemical Properties

Molecular Weight:  277.11
ALogP:  0.0153
MLogP:  3.11
XLogP:  5.132
# Rotatable Bonds:  3
Polar Surface Area:  31.35
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  21

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs