Natural Product: NPC214239

Natural Product ID:  NPC214239
Common Name:   [(1R,7S,8R)-7-Methyl-2,3,5,6,7,8-Hexahydro-1H-Pyrrolizin-1-Yl] 4-Methoxybenzoate
IUPAC Name:   [(1R,7S,8R)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] 4-methoxybenzoate
Synonyms:  
Molecular Formula:   C16H21NO3
Standard InCHIKey:  PIRUMYPCEYRZQG-NILFDRSVSA-N
Standard InCHI:  InChI=1S/C16H21NO3/c1-11-7-9-17-10-8-14(15(11)17)20-16(18)12-3-5-13(19-2)6-4-12/h3-6,11,14-15H,7-10H2,1-2H3/t11-,14+,15+/m0/s1
Canonical SMILES:  COc1ccc(cc1)C(=O)O[C@@H]1CCN2[C@@H]1[C@@H](C)CC2
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
NPO23469 Eremanthus elaeagnus Species Asteraceae Eukaryota UNPD*
NPO23348 Lupinus arbustus Species Fabaceae Eukaryota UNPD*
NPO20334 Streptomyces aculeolatus Species Streptomycetaceae Bacteria UNPD*
NPO23967 Justicia purpurea Species Acanthaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT367 Cell Line MDA-N Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 58076.44 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 1000 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 45919.8 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 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 NPC214239 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
0.8113 Intermediate Similarity NPC26353
0.811 Intermediate Similarity NPC329992
0.8075 Intermediate Similarity NPC35345
0.8059 Intermediate Similarity NPC141440
0.7914 Intermediate Similarity NPC474858
0.7904 Intermediate Similarity NPC35680
0.787 Intermediate Similarity NPC473562
0.7817 Intermediate Similarity NPC26285
0.7816 Intermediate Similarity NPC94499
0.7751 Intermediate Similarity NPC329816
0.7698 Intermediate Similarity NPC220540
0.7655 Intermediate Similarity NPC221798
0.7586 Intermediate Similarity NPC162694
0.7572 Intermediate Similarity NPC475566
0.7566 Intermediate Similarity NPC281104
0.7544 Intermediate Similarity NPC309692
0.7528 Intermediate Similarity NPC33256
0.7517 Intermediate Similarity NPC69403
0.7517 Intermediate Similarity NPC291189
0.75 Intermediate Similarity NPC329640
0.7485 Intermediate Similarity NPC476443
0.7485 Intermediate Similarity NPC133817
0.7483 Intermediate Similarity NPC61779
0.7483 Intermediate Similarity NPC124776
0.7455 Intermediate Similarity NPC472923
0.745 Intermediate Similarity NPC2596
0.7438 Intermediate Similarity NPC469540
0.7438 Intermediate Similarity NPC469539
0.7432 Intermediate Similarity NPC475236
0.7417 Intermediate Similarity NPC470977
0.7417 Intermediate Similarity NPC196979
0.7417 Intermediate Similarity NPC470976
0.7405 Intermediate Similarity NPC17760
0.7377 Intermediate Similarity NPC286135
0.7372 Intermediate Similarity NPC204546
0.7368 Intermediate Similarity NPC266425
0.7365 Intermediate Similarity NPC49938
0.7351 Intermediate Similarity NPC282230
0.7351 Intermediate Similarity NPC183348
0.7345 Intermediate Similarity NPC469437
0.7329 Intermediate Similarity NPC470088
0.7305 Intermediate Similarity NPC469479
0.7303 Intermediate Similarity NPC15083
0.7303 Intermediate Similarity NPC470392
0.7296 Intermediate Similarity NPC469978
0.7292 Intermediate Similarity NPC94298
0.7292 Intermediate Similarity NPC27633
0.7292 Intermediate Similarity NPC293424
0.7285 Intermediate Similarity NPC66246
0.7285 Intermediate Similarity NPC170546
0.7278 Intermediate Similarity NPC329717
0.7273 Intermediate Similarity NPC196708
0.7273 Intermediate Similarity NPC311339
0.7267 Intermediate Similarity NPC37512
0.7258 Intermediate Similarity NPC476500
0.7253 Intermediate Similarity NPC215098
0.7253 Intermediate Similarity NPC46744
0.7253 Intermediate Similarity NPC70290
0.7253 Intermediate Similarity NPC14622
0.7253 Intermediate Similarity NPC124302
0.7253 Intermediate Similarity NPC73020
0.7248 Intermediate Similarity NPC470858
0.7248 Intermediate Similarity NPC165556
0.7219 Intermediate Similarity NPC469505
0.7215 Intermediate Similarity NPC51181
0.7209 Intermediate Similarity NPC129578
0.72 Intermediate Similarity NPC204579
0.72 Intermediate Similarity NPC110211
0.7189 Intermediate Similarity NPC202771
0.7189 Intermediate Similarity NPC119818
0.7189 Intermediate Similarity NPC2173
0.7189 Intermediate Similarity NPC328700
0.7174 Intermediate Similarity NPC226652
0.7174 Intermediate Similarity NPC72788
0.7174 Intermediate Similarity NPC120671
0.7174 Intermediate Similarity NPC314100
0.7171 Intermediate Similarity NPC194979
0.7163 Intermediate Similarity NPC23332
0.7163 Intermediate Similarity NPC57879
0.7153 Intermediate Similarity NPC470860
0.7153 Intermediate Similarity NPC131192
0.7152 Intermediate Similarity NPC121104
0.7151 Intermediate Similarity NPC474708
0.7143 Intermediate Similarity NPC158900
0.7133 Intermediate Similarity NPC252004
0.7114 Intermediate Similarity NPC141252
0.7114 Intermediate Similarity NPC11799
0.711 Intermediate Similarity NPC227683
0.7107 Intermediate Similarity NPC138438
0.7107 Intermediate Similarity NPC908
0.7103 Intermediate Similarity NPC469954
0.7102 Intermediate Similarity NPC470112
0.7102 Intermediate Similarity NPC167763
0.7102 Intermediate Similarity NPC470903
0.7093 Intermediate Similarity NPC475845
0.7092 Intermediate Similarity NPC183648
0.7086 Intermediate Similarity NPC305717
0.7086 Intermediate Similarity NPC154275
0.7078 Intermediate Similarity NPC104854
0.7074 Intermediate Similarity NPC80472
0.707 Intermediate Similarity NPC194359
0.707 Intermediate Similarity NPC28641
0.7067 Intermediate Similarity NPC184219
0.7065 Intermediate Similarity NPC83019
0.7063 Intermediate Similarity NPC470856
0.7059 Intermediate Similarity NPC473502
0.7059 Intermediate Similarity NPC218614
0.7055 Intermediate Similarity NPC24257
0.7055 Intermediate Similarity NPC153620
0.7055 Intermediate Similarity NPC286038
0.705 Intermediate Similarity NPC326447
0.7048 Intermediate Similarity NPC470708
0.7037 Intermediate Similarity NPC184702
0.7035 Intermediate Similarity NPC474324
0.7035 Intermediate Similarity NPC57812
0.7032 Intermediate Similarity NPC470859
0.7032 Intermediate Similarity NPC132308
0.7029 Intermediate Similarity NPC308267
0.7022 Intermediate Similarity NPC235194
0.7013 Intermediate Similarity NPC86774
0.7013 Intermediate Similarity NPC327457
0.7012 Intermediate Similarity NPC66991
0.7011 Intermediate Similarity NPC204580
0.7006 Intermediate Similarity NPC106606
0.7006 Intermediate Similarity NPC308555
0.7 Intermediate Similarity NPC254700
0.7 Intermediate Similarity NPC230098
0.6995 Remote Similarity NPC184933
0.6995 Remote Similarity NPC59827
0.6994 Remote Similarity NPC86469
0.6993 Remote Similarity NPC2401
0.6989 Remote Similarity NPC476661
0.6989 Remote Similarity NPC474470
0.6987 Remote Similarity NPC288743
0.6986 Remote Similarity NPC217423
0.6986 Remote Similarity NPC45104
0.6984 Remote Similarity NPC195787
0.6984 Remote Similarity NPC246140
0.6981 Remote Similarity NPC470709
0.6978 Remote Similarity NPC238115
0.697 Remote Similarity NPC68967
0.6968 Remote Similarity NPC125153
0.6962 Remote Similarity NPC64230
0.6962 Remote Similarity NPC71638
0.6961 Remote Similarity NPC166979
0.6957 Remote Similarity NPC184053
0.6954 Remote Similarity NPC255073
0.6954 Remote Similarity NPC474847
0.6952 Remote Similarity NPC476662
0.6951 Remote Similarity NPC473149
0.6944 Remote Similarity NPC214629
0.6944 Remote Similarity NPC4910
0.6944 Remote Similarity NPC329731
0.6943 Remote Similarity NPC247743
0.6936 Remote Similarity NPC284842
0.6936 Remote Similarity NPC252960
0.6933 Remote Similarity NPC470932
0.6933 Remote Similarity NPC67300
0.6932 Remote Similarity NPC475421
0.6929 Remote Similarity NPC1065
0.6928 Remote Similarity NPC264428
0.6923 Remote Similarity NPC302844
0.6923 Remote Similarity NPC254163
0.6918 Remote Similarity NPC170718
0.6918 Remote Similarity NPC40321
0.6914 Remote Similarity NPC303581
0.6914 Remote Similarity NPC297985
0.6914 Remote Similarity NPC67978
0.691 Remote Similarity NPC474745
0.6909 Remote Similarity NPC473428
0.6908 Remote Similarity NPC52035
0.6908 Remote Similarity NPC65041
0.6905 Remote Similarity NPC169742
0.6903 Remote Similarity NPC285776
0.6903 Remote Similarity NPC109778
0.6903 Remote Similarity NPC307732
0.6903 Remote Similarity NPC473271
0.6903 Remote Similarity NPC42292
0.6901 Remote Similarity NPC153631
0.6899 Remote Similarity NPC145446
0.6899 Remote Similarity NPC470844
0.6899 Remote Similarity NPC137172
0.6894 Remote Similarity NPC80098
0.6886 Remote Similarity NPC243891
0.6883 Remote Similarity NPC69496
0.6883 Remote Similarity NPC473744
0.6882 Remote Similarity NPC477527
0.6879 Remote Similarity NPC66158
0.6879 Remote Similarity NPC45783
0.6879 Remote Similarity NPC196091
0.6879 Remote Similarity NPC94280
0.6879 Remote Similarity NPC157473
0.6879 Remote Similarity NPC328419
0.6879 Remote Similarity NPC159150
0.6879 Remote Similarity NPC193673
0.6879 Remote Similarity NPC151530
0.6879 Remote Similarity NPC103947
0.6875 Remote Similarity NPC476496
0.6875 Remote Similarity NPC253616
0.6871 Remote Similarity NPC469615

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC214239 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
0.8 Intermediate Similarity NPD1670 Discontinued
0.7959 Intermediate Similarity NPD3142 Approved
0.7959 Intermediate Similarity NPD3140 Approved
0.7911 Intermediate Similarity NPD6385 Approved
0.7911 Intermediate Similarity NPD6386 Approved
0.7875 Intermediate Similarity NPD5353 Approved
0.78 Intermediate Similarity NPD743 Approved
0.7778 Intermediate Similarity NPD2654 Approved
0.7707 Intermediate Similarity NPD2186 Approved
0.7636 Intermediate Similarity NPD2247 Approved
0.7636 Intermediate Similarity NPD2249 Approved
0.7566 Intermediate Similarity NPD2567 Approved
0.7566 Intermediate Similarity NPD2569 Approved
0.7534 Intermediate Similarity NPD2199 Approved
0.7534 Intermediate Similarity NPD2198 Approved
0.75 Intermediate Similarity NPD4210 Discontinued
0.75 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3451 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD2240 Approved
0.7468 Intermediate Similarity NPD2239 Approved
0.7451 Intermediate Similarity NPD5688 Approved
0.7451 Intermediate Similarity NPD5689 Approved
0.744 Intermediate Similarity NPD5242 Approved
0.7421 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD3146 Approved
0.7412 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD5746 Approved
0.7351 Intermediate Similarity NPD3374 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD4237 Approved
0.7325 Intermediate Similarity NPD4236 Phase 3
0.7325 Intermediate Similarity NPD2976 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD4622 Approved
0.732 Intermediate Similarity NPD4618 Approved
0.7303 Intermediate Similarity NPD5745 Approved
0.7296 Intermediate Similarity NPD6667 Approved
0.7296 Intermediate Similarity NPD6666 Approved
0.7292 Intermediate Similarity NPD9545 Approved
0.7289 Intermediate Similarity NPD5019 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD6808 Phase 2
0.7256 Intermediate Similarity NPD5890 Approved
0.7256 Intermediate Similarity NPD5889 Approved
0.7253 Intermediate Similarity NPD4420 Approved
0.7241 Intermediate Similarity NPD7039 Approved
0.7241 Intermediate Similarity NPD7038 Approved
0.7241 Intermediate Similarity NPD5192 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD5586 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD7810 Phase 3
0.7213 Intermediate Similarity NPD7811 Phase 3
0.7212 Intermediate Similarity NPD6279 Approved
0.7212 Intermediate Similarity NPD7577 Discontinued
0.7212 Intermediate Similarity NPD6280 Approved
0.7189 Intermediate Similarity NPD5005 Approved
0.7189 Intermediate Similarity NPD5006 Approved
0.7186 Intermediate Similarity NPD4947 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD2163 Approved
0.7108 Intermediate Similarity NPD7317 Phase 3
0.7093 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD2592 Discontinued
0.7091 Intermediate Similarity NPD6585 Discontinued
0.7069 Intermediate Similarity NPD3050 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7497 Discontinued
0.7059 Intermediate Similarity NPD3179 Approved
0.7059 Intermediate Similarity NPD3180 Approved
0.7051 Intermediate Similarity NPD1654 Clinical (unspecified phase)
0.705 Intermediate Similarity NPD3134 Approved
0.7049 Intermediate Similarity NPD4361 Phase 2
0.7049 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD4424 Discontinued
0.7048 Intermediate Similarity NPD6873 Phase 2
0.7048 Intermediate Similarity NPD6677 Suspended
0.7024 Intermediate Similarity NPD7318 Phase 3
0.7024 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD2681 Approved
0.7018 Intermediate Similarity NPD2680 Approved
0.7 Intermediate Similarity NPD6862 Phase 2
0.6994 Remote Similarity NPD4661 Approved
0.6994 Remote Similarity NPD2246 Approved
0.6994 Remote Similarity NPD2248 Approved
0.6994 Remote Similarity NPD4662 Approved
0.6989 Remote Similarity NPD4107 Approved
0.6988 Remote Similarity NPD1337 Clinical (unspecified phase)
0.6981 Remote Similarity NPD5865 Clinical (unspecified phase)
0.6977 Remote Similarity NPD5711 Approved
0.6977 Remote Similarity NPD5710 Approved
0.6974 Remote Similarity NPD7018 Phase 2
0.6957 Remote Similarity NPD4628 Phase 3
0.6954 Remote Similarity NPD196 Phase 1
0.6951 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6951 Remote Similarity NPD6390 Discontinued
0.6948 Remote Similarity NPD6039 Approved
0.6943 Remote Similarity NPD3054 Approved
0.6943 Remote Similarity NPD3052 Approved
0.6937 Remote Similarity NPD2897 Discontinued
0.6928 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6928 Remote Similarity NPD2040 Clinical (unspecified phase)
0.6928 Remote Similarity NPD3455 Phase 2
0.6928 Remote Similarity NPD3663 Approved
0.6928 Remote Similarity NPD3661 Approved
0.6928 Remote Similarity NPD2649 Approved
0.6928 Remote Similarity NPD2651 Approved
0.6928 Remote Similarity NPD824 Approved
0.6928 Remote Similarity NPD3662 Phase 3
0.6928 Remote Similarity NPD3664 Approved
0.6928 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5978 Approved
0.6923 Remote Similarity NPD3373 Approved
0.6923 Remote Similarity NPD5977 Approved
0.6918 Remote Similarity NPD4477 Approved
0.6918 Remote Similarity NPD3596 Phase 2
0.6918 Remote Similarity NPD4476 Approved
0.6915 Remote Similarity NPD6863 Phase 2
0.6914 Remote Similarity NPD7177 Discontinued
0.6909 Remote Similarity NPD7131 Phase 3
0.6906 Remote Similarity NPD6040 Clinical (unspecified phase)
0.6903 Remote Similarity NPD4621 Approved
0.6903 Remote Similarity NPD4619 Approved
0.6899 Remote Similarity NPD2200 Suspended
0.6894 Remote Similarity NPD7421 Clinical (unspecified phase)
0.689 Remote Similarity NPD3536 Discontinued
0.6883 Remote Similarity NPD2613 Approved
0.6871 Remote Similarity NPD160 Clinical (unspecified phase)
0.6871 Remote Similarity NPD6652 Clinical (unspecified phase)
0.6868 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6867 Remote Similarity NPD3686 Approved
0.6867 Remote Similarity NPD3687 Approved
0.6864 Remote Similarity NPD6668 Clinical (unspecified phase)
0.6862 Remote Similarity NPD4482 Phase 3
0.6859 Remote Similarity NPD4745 Approved
0.6859 Remote Similarity NPD2574 Discontinued
0.6859 Remote Similarity NPD3614 Approved
0.6859 Remote Similarity NPD2566 Approved
0.6859 Remote Similarity NPD4746 Phase 3
0.6859 Remote Similarity NPD2571 Approved
0.6859 Remote Similarity NPD3615 Approved
0.6859 Remote Similarity NPD3088 Approved
0.6859 Remote Similarity NPD2573 Approved
0.6859 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6859 Remote Similarity NPD3089 Approved
0.6859 Remote Similarity NPD3616 Approved
0.6859 Remote Similarity NPD3087 Approved
0.6859 Remote Similarity NPD2570 Approved
0.6859 Remote Similarity NPD3090 Approved
0.6852 Remote Similarity NPD7466 Approved
0.6845 Remote Similarity NPD7565 Approved
0.6842 Remote Similarity NPD8005 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1309 Phase 2
0.6842 Remote Similarity NPD1307 Phase 2
0.6839 Remote Similarity NPD3165 Approved
0.6839 Remote Similarity NPD5163 Phase 2
0.6839 Remote Similarity NPD3164 Approved
0.6839 Remote Similarity NPD3166 Approved
0.6839 Remote Similarity NPD3167 Approved
0.6835 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6835 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6833 Remote Similarity NPD6734 Clinical (unspecified phase)
0.6831 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6831 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6828 Remote Similarity NPD1241 Discontinued
0.6821 Remote Similarity NPD3972 Approved
0.6813 Remote Similarity NPD6032 Approved
0.6813 Remote Similarity NPD2796 Approved
0.681 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6807 Remote Similarity NPD7427 Discontinued
0.6806 Remote Similarity NPD7999 Approved
0.6805 Remote Similarity NPD5356 Approved
0.6805 Remote Similarity NPD5355 Approved
0.6805 Remote Similarity NPD6844 Discontinued
0.68 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6797 Remote Similarity NPD1817 Approved
0.6797 Remote Similarity NPD1818 Approved
0.6797 Remote Similarity NPD2625 Approved
0.6797 Remote Similarity NPD4098 Discontinued
0.6797 Remote Similarity NPD1819 Approved
0.6797 Remote Similarity NPD2159 Approved
0.6797 Remote Similarity NPD1820 Approved
0.6797 Remote Similarity NPD2160 Approved
0.6797 Remote Similarity NPD2626 Approved
0.6797 Remote Similarity NPD2628 Approved
0.6797 Remote Similarity NPD2627 Approved
0.6793 Remote Similarity NPD7296 Approved
0.6782 Remote Similarity NPD5186 Approved
0.6782 Remote Similarity NPD5668 Clinical (unspecified phase)
0.6782 Remote Similarity NPD5183 Approved
0.6779 Remote Similarity NPD2594 Approved
0.6779 Remote Similarity NPD2595 Approved
0.6778 Remote Similarity NPD2968 Approved
0.6778 Remote Similarity NPD2971 Approved
0.6774 Remote Similarity NPD2614 Approved
0.6772 Remote Similarity NPD4686 Approved
0.6772 Remote Similarity NPD4685 Phase 3
0.6772 Remote Similarity NPD4684 Phase 3
0.6761 Remote Similarity NPD1358 Approved
0.6748 Remote Similarity NPD2575 Approved
0.6746 Remote Similarity NPD2541 Clinical (unspecified phase)
0.6746 Remote Similarity NPD7118 Clinical (unspecified phase)
0.674 Remote Similarity NPD6556 Clinical (unspecified phase)
0.6733 Remote Similarity NPD2668 Approved
0.6733 Remote Similarity NPD17 Approved
0.6733 Remote Similarity NPD2667 Approved

Structure

External Identifiers

PubChem CID   336435
ChEMBL   CHEMBL1987381
ZINC  

Physicochemical Properties

Molecular Weight:  275.15
ALogP:  -0.6499
MLogP:  2.78
XLogP:  2.788
# Rotatable Bonds:  6
Polar Surface Area:  38.77
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  20

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