Natural Product: NPC315276

Natural Product ID:  NPC315276
Common Name:   3-Benzyl-2,3,6,7,8,8A-Hexahydropyrrolo[1,2-A]Pyrazine-1,4-Dione
IUPAC Name:   3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Synonyms:  
Molecular Formula:   C14H16N2O2
Standard InCHIKey:  QZBUWPVZSXDWSB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)
Canonical SMILES:  OC1=NC(Cc2ccccc2)C(=O)N2C1CCC2
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
NPO31957 Streptomyces nps008187 Species Streptomycetaceae Bacteria StreptomeDB*
NPO4899 Streptomyces fungicidicus Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
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
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 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
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 100000 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
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL 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
NPT574 Cell Line XF498 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
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 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
NPT731 Cell Line LXFL 529 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 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
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT577 Cell Line RXF 631 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 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
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 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 NPC315276 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 NPC285926
1.0 High Similarity NPC14672
0.9391 High Similarity NPC474082
0.9391 High Similarity NPC175726
0.913 High Similarity NPC200964
0.8938 High Similarity NPC33742
0.8618 High Similarity NPC200589
0.8583 High Similarity NPC6975
0.8548 High Similarity NPC255447
0.8438 Intermediate Similarity NPC313694
0.8438 Intermediate Similarity NPC242159
0.8417 Intermediate Similarity NPC202521
0.839 Intermediate Similarity NPC470545
0.8387 Intermediate Similarity NPC473322
0.8362 Intermediate Similarity NPC35850
0.8362 Intermediate Similarity NPC276949
0.8333 Intermediate Similarity NPC476990
0.8319 Intermediate Similarity NPC470546
0.8305 Intermediate Similarity NPC470544
0.824 Intermediate Similarity NPC111428
0.8203 Intermediate Similarity NPC248283
0.8197 Intermediate Similarity NPC252878
0.8167 Intermediate Similarity NPC220698
0.813 Intermediate Similarity NPC46427
0.8115 Intermediate Similarity NPC71684
0.811 Intermediate Similarity NPC130309
0.8031 Intermediate Similarity NPC300315
0.8015 Intermediate Similarity NPC178662
0.8015 Intermediate Similarity NPC476133
0.8015 Intermediate Similarity NPC470884
0.8015 Intermediate Similarity NPC92784
0.8015 Intermediate Similarity NPC98424
0.8 Intermediate Similarity NPC101719
0.8 Intermediate Similarity NPC239357
0.7985 Intermediate Similarity NPC471680
0.792 Intermediate Similarity NPC222466
0.7852 Intermediate Similarity NPC209509
0.7846 Intermediate Similarity NPC287401
0.7803 Intermediate Similarity NPC471265
0.7803 Intermediate Similarity NPC471264
0.7794 Intermediate Similarity NPC262077
0.7778 Intermediate Similarity NPC52748
0.7778 Intermediate Similarity NPC476978
0.7744 Intermediate Similarity NPC89489
0.7737 Intermediate Similarity NPC16188
0.7721 Intermediate Similarity NPC5620
0.7704 Intermediate Similarity NPC161069
0.7679 Intermediate Similarity NPC472258
0.7672 Intermediate Similarity NPC473418
0.7652 Intermediate Similarity NPC141050
0.763 Intermediate Similarity NPC269398
0.763 Intermediate Similarity NPC263493
0.7607 Intermediate Similarity NPC45033
0.76 Intermediate Similarity NPC27833
0.7554 Intermediate Similarity NPC471820
0.7554 Intermediate Similarity NPC471821
0.7545 Intermediate Similarity NPC226438
0.7544 Intermediate Similarity NPC12730
0.7538 Intermediate Similarity NPC469666
0.7518 Intermediate Similarity NPC314388
0.7518 Intermediate Similarity NPC315283
0.75 Intermediate Similarity NPC303045
0.75 Intermediate Similarity NPC164859
0.75 Intermediate Similarity NPC129666
0.75 Intermediate Similarity NPC22746
0.75 Intermediate Similarity NPC161972
0.75 Intermediate Similarity NPC319579
0.75 Intermediate Similarity NPC283783
0.75 Intermediate Similarity NPC2501
0.7482 Intermediate Similarity NPC138775
0.7481 Intermediate Similarity NPC132636
0.7465 Intermediate Similarity NPC122590
0.7465 Intermediate Similarity NPC202198
0.7464 Intermediate Similarity NPC322878
0.7464 Intermediate Similarity NPC315266
0.7464 Intermediate Similarity NPC313867
0.7464 Intermediate Similarity NPC316008
0.7462 Intermediate Similarity NPC319766
0.7429 Intermediate Similarity NPC240848
0.7426 Intermediate Similarity NPC163392
0.7426 Intermediate Similarity NPC239762
0.7413 Intermediate Similarity NPC473002
0.741 Intermediate Similarity NPC314358
0.7372 Intermediate Similarity NPC476989
0.7368 Intermediate Similarity NPC311242
0.7368 Intermediate Similarity NPC325479
0.7361 Intermediate Similarity NPC469903
0.7353 Intermediate Similarity NPC122553
0.7345 Intermediate Similarity NPC256452
0.7319 Intermediate Similarity NPC77905
0.7311 Intermediate Similarity NPC474804
0.7311 Intermediate Similarity NPC130898
0.7311 Intermediate Similarity NPC474973
0.7311 Intermediate Similarity NPC327481
0.7304 Intermediate Similarity NPC322598
0.7299 Intermediate Similarity NPC268841
0.7299 Intermediate Similarity NPC46098
0.7299 Intermediate Similarity NPC307357
0.7295 Intermediate Similarity NPC329011
0.7273 Intermediate Similarity NPC233702
0.7273 Intermediate Similarity NPC162104
0.7265 Intermediate Similarity NPC329375
0.7236 Intermediate Similarity NPC474584
0.7234 Intermediate Similarity NPC225648
0.7234 Intermediate Similarity NPC145113
0.7234 Intermediate Similarity NPC311658
0.7234 Intermediate Similarity NPC329761
0.7227 Intermediate Similarity NPC143516
0.7194 Intermediate Similarity NPC468984
0.7194 Intermediate Similarity NPC139326
0.7188 Intermediate Similarity NPC302169
0.7167 Intermediate Similarity NPC473498
0.7162 Intermediate Similarity NPC469902
0.7162 Intermediate Similarity NPC473003
0.7153 Intermediate Similarity NPC127741
0.7153 Intermediate Similarity NPC68865
0.7143 Intermediate Similarity NPC275467
0.7143 Intermediate Similarity NPC197743
0.7143 Intermediate Similarity NPC297145
0.7114 Intermediate Similarity NPC241794
0.7103 Intermediate Similarity NPC56685
0.7103 Intermediate Similarity NPC5194
0.7103 Intermediate Similarity NPC261934
0.7103 Intermediate Similarity NPC262166
0.7095 Intermediate Similarity NPC104345
0.7092 Intermediate Similarity NPC201244
0.7092 Intermediate Similarity NPC477217
0.7083 Intermediate Similarity NPC67043
0.7083 Intermediate Similarity NPC475168
0.7083 Intermediate Similarity NPC473491
0.7083 Intermediate Similarity NPC7817
0.708 Intermediate Similarity NPC79465
0.708 Intermediate Similarity NPC273907
0.708 Intermediate Similarity NPC474787
0.708 Intermediate Similarity NPC474811
0.708 Intermediate Similarity NPC151706
0.708 Intermediate Similarity NPC76785
0.708 Intermediate Similarity NPC260045
0.708 Intermediate Similarity NPC475598
0.708 Intermediate Similarity NPC293377
0.708 Intermediate Similarity NPC9687
0.708 Intermediate Similarity NPC118099
0.708 Intermediate Similarity NPC475318
0.708 Intermediate Similarity NPC476102
0.708 Intermediate Similarity NPC474855
0.708 Intermediate Similarity NPC49577
0.708 Intermediate Similarity NPC90194
0.7071 Intermediate Similarity NPC197682
0.7063 Intermediate Similarity NPC197470
0.7063 Intermediate Similarity NPC105717
0.7059 Intermediate Similarity NPC471317
0.705 Intermediate Similarity NPC476259
0.7047 Intermediate Similarity NPC469901
0.7027 Intermediate Similarity NPC324850
0.7027 Intermediate Similarity NPC471638
0.7007 Intermediate Similarity NPC476268
0.7 Intermediate Similarity NPC168113
0.7 Intermediate Similarity NPC68650
0.6993 Remote Similarity NPC135121
0.6992 Remote Similarity NPC477937
0.6985 Remote Similarity NPC246079
0.6983 Remote Similarity NPC25565
0.6953 Remote Similarity NPC169328
0.695 Remote Similarity NPC176226
0.6944 Remote Similarity NPC9373
0.6939 Remote Similarity NPC470902
0.6928 Remote Similarity NPC328649
0.6928 Remote Similarity NPC141957
0.6923 Remote Similarity NPC122493
0.6923 Remote Similarity NPC10781
0.6923 Remote Similarity NPC473501
0.6923 Remote Similarity NPC475439
0.6923 Remote Similarity NPC293628
0.6911 Remote Similarity NPC473676
0.6899 Remote Similarity NPC310467
0.6883 Remote Similarity NPC469904
0.6879 Remote Similarity NPC469426
0.6879 Remote Similarity NPC469427
0.6871 Remote Similarity NPC286551
0.6871 Remote Similarity NPC473341
0.6867 Remote Similarity NPC469898
0.6861 Remote Similarity NPC257390
0.6842 Remote Similarity NPC316108
0.6814 Remote Similarity NPC325441
0.681 Remote Similarity NPC71140
0.6803 Remote Similarity NPC476198
0.6795 Remote Similarity NPC89831
0.6791 Remote Similarity NPC474479
0.6781 Remote Similarity NPC13470
0.6781 Remote Similarity NPC254798
0.678 Remote Similarity NPC324569
0.6779 Remote Similarity NPC244509
0.6777 Remote Similarity NPC202613
0.6776 Remote Similarity NPC73655
0.6774 Remote Similarity NPC280022
0.6767 Remote Similarity NPC35996
0.6755 Remote Similarity NPC244336
0.6753 Remote Similarity NPC61004
0.6752 Remote Similarity NPC137627
0.675 Remote Similarity NPC39822

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC315276 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
0.876 High Similarity NPD5339 Clinical (unspecified phase)
0.8583 High Similarity NPD2584 Suspended
0.8226 Intermediate Similarity NPD2585 Clinical (unspecified phase)
0.8203 Intermediate Similarity NPD4791 Clinical (unspecified phase)
0.8175 Intermediate Similarity NPD4125 Approved
0.814 Intermediate Similarity NPD7113 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD941 Approved
0.8077 Intermediate Similarity NPD4782 Clinical (unspecified phase)
0.8077 Intermediate Similarity NPD8173 Phase 2
0.8077 Intermediate Similarity NPD8172 Phase 2
0.8049 Intermediate Similarity NPD4761 Approved
0.8049 Intermediate Similarity NPD4762 Approved
0.8047 Intermediate Similarity NPD3632 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD2031 Discontinued
0.7984 Intermediate Similarity NPD3073 Approved
0.7984 Intermediate Similarity NPD3071 Approved
0.7984 Intermediate Similarity NPD3072 Approved
0.7982 Intermediate Similarity NPD999 Phase 2
0.791 Intermediate Similarity NPD5341 Clinical (unspecified phase)
0.7903 Intermediate Similarity NPD4706 Clinical (unspecified phase)
0.7852 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7752 Intermediate Similarity NPD5263 Approved
0.7734 Intermediate Similarity NPD3604 Clinical (unspecified phase)
0.7734 Intermediate Similarity NPD3608 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD7728 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD4175 Approved
0.7674 Intermediate Similarity NPD4177 Approved
0.7667 Intermediate Similarity NPD480 Approved
0.7634 Intermediate Similarity NPD2078 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD1330 Phase 2
0.7634 Intermediate Similarity NPD1329 Clinical (unspecified phase)
0.7615 Intermediate Similarity NPD4676 Approved
0.7615 Intermediate Similarity NPD7979 Clinical (unspecified phase)
0.7612 Intermediate Similarity NPD6901 Phase 3
0.7563 Intermediate Similarity NPD3581 Discontinued
0.7538 Intermediate Similarity NPD3626 Phase 3
0.752 Intermediate Similarity NPD4504 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD8643 Discontinued
0.7463 Intermediate Similarity NPD3908 Approved
0.7444 Intermediate Similarity NPD3561 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD6792 Phase 3
0.7407 Intermediate Similarity NPD6073 Approved
0.7405 Intermediate Similarity NPD3040 Approved
0.7405 Intermediate Similarity NPD5759 Approved
0.7388 Intermediate Similarity NPD8416 Discontinued
0.7376 Intermediate Similarity NPD6631 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD1018 Approved
0.7364 Intermediate Similarity NPD4677 Discontinued
0.7355 Intermediate Similarity NPD3642 Approved
0.7355 Intermediate Similarity NPD3644 Approved
0.7355 Intermediate Similarity NPD3643 Approved
0.7328 Intermediate Similarity NPD4151 Approved
0.7324 Intermediate Similarity NPD979 Approved
0.7319 Intermediate Similarity NPD7720 Phase 2
0.7317 Intermediate Similarity NPD3598 Phase 3
0.7311 Intermediate Similarity NPD7130 Phase 3
0.7308 Intermediate Similarity NPD5577 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD5578 Approved
0.7308 Intermediate Similarity NPD3125 Approved
0.7302 Intermediate Similarity NPD998 Approved
0.7299 Intermediate Similarity NPD5301 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD2046 Approved
0.7293 Intermediate Similarity NPD6919 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD2044 Approved
0.7293 Intermediate Similarity NPD2049 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD2045 Approved
0.7293 Intermediate Similarity NPD2050 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD2048 Approved
0.7293 Intermediate Similarity NPD2043 Approved
0.7293 Intermediate Similarity NPD2051 Approved
0.7293 Intermediate Similarity NPD21 Approved
0.7293 Intermediate Similarity NPD2047 Approved
0.7286 Intermediate Similarity NPD1967 Approved
0.7286 Intermediate Similarity NPD1968 Approved
0.728 Intermediate Similarity NPD1344 Phase 2
0.7279 Intermediate Similarity NPD5725 Approved
0.7234 Intermediate Similarity NPD8323 Discontinued
0.7226 Intermediate Similarity NPD4126 Approved
0.7222 Intermediate Similarity NPD3806 Clinical (unspecified phase)
0.7206 Intermediate Similarity NPD4757 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD3588 Discontinued
0.7194 Intermediate Similarity NPD2087 Approved
0.7194 Intermediate Similarity NPD2088 Approved
0.7194 Intermediate Similarity NPD8076 Discontinued
0.7194 Intermediate Similarity NPD2022 Approved
0.7192 Intermediate Similarity NPD7267 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD8290 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD6345 Approved
0.7165 Intermediate Similarity NPD6343 Approved
0.7164 Intermediate Similarity NPD4794 Discontinued
0.7155 Intermediate Similarity NPD466 Approved
0.7154 Intermediate Similarity NPD753 Approved
0.7153 Intermediate Similarity NPD7613 Discontinued
0.7143 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2437 Approved
0.7143 Intermediate Similarity NPD2436 Approved
0.7132 Intermediate Similarity NPD4153 Approved
0.712 Intermediate Similarity NPD3551 Approved
0.712 Intermediate Similarity NPD747 Discontinued
0.7113 Intermediate Similarity NPD6552 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD7602 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD5581 Approved
0.7111 Intermediate Similarity NPD5299 Approved
0.7094 Intermediate Similarity NPD742 Approved
0.7063 Intermediate Similarity NPD1348 Approved
0.7059 Intermediate Similarity NPD7634 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5747 Discontinued
0.7027 Intermediate Similarity NPD951 Approved
0.7018 Intermediate Similarity NPD1812 Approved
0.7018 Intermediate Similarity NPD1814 Approved
0.7014 Intermediate Similarity NPD5614 Approved
0.7014 Intermediate Similarity NPD5613 Approved
0.7008 Intermediate Similarity NPD3123 Discovery
0.7007 Intermediate Similarity NPD5296 Approved
0.7007 Intermediate Similarity NPD6623 Phase 3
0.7007 Intermediate Similarity NPD5323 Approved
0.7 Intermediate Similarity NPD5187 Clinical (unspecified phase)
0.6975 Remote Similarity NPD4803 Discontinued
0.6972 Remote Similarity NPD5265 Approved
0.6972 Remote Similarity NPD5264 Approved
0.6966 Remote Similarity NPD4432 Discontinued
0.6957 Remote Similarity NPD3577 Discontinued
0.6953 Remote Similarity NPD5991 Approved
0.6953 Remote Similarity NPD5990 Approved
0.6942 Remote Similarity NPD1040 Phase 2
0.6935 Remote Similarity NPD2583 Phase 2
0.6929 Remote Similarity NPD3480 Approved
0.6923 Remote Similarity NPD3064 Clinical (unspecified phase)
0.6923 Remote Similarity NPD9566 Approved
0.6917 Remote Similarity NPD5367 Discontinued
0.6912 Remote Similarity NPD4497 Clinical (unspecified phase)
0.6906 Remote Similarity NPD5004 Approved
0.6897 Remote Similarity NPD3988 Approved
0.6897 Remote Similarity NPD3987 Approved
0.6897 Remote Similarity NPD6088 Approved
0.6897 Remote Similarity NPD7892 Clinical (unspecified phase)
0.6894 Remote Similarity NPD6408 Phase 1
0.6879 Remote Similarity NPD7511 Approved
0.6879 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6879 Remote Similarity NPD7512 Approved
0.6867 Remote Similarity NPD7011 Discontinued
0.6866 Remote Similarity NPD3029 Clinical (unspecified phase)
0.6857 Remote Similarity NPD6294 Approved
0.6857 Remote Similarity NPD6852 Discontinued
0.6857 Remote Similarity NPD6295 Approved
0.6833 Remote Similarity NPD6588 Clinical (unspecified phase)
0.6831 Remote Similarity NPD4152 Approved
0.6824 Remote Similarity NPD8315 Phase 1
0.6807 Remote Similarity NPD787 Suspended
0.6803 Remote Similarity NPD5230 Approved
0.6803 Remote Similarity NPD6144 Discontinued
0.6803 Remote Similarity NPD2197 Approved
0.6803 Remote Similarity NPD5229 Approved
0.6803 Remote Similarity NPD2192 Approved
0.6794 Remote Similarity NPD4733 Approved
0.6791 Remote Similarity NPD6325 Discontinued
0.6781 Remote Similarity NPD2016 Approved
0.6781 Remote Similarity NPD2014 Approved
0.6781 Remote Similarity NPD2013 Approved
0.678 Remote Similarity NPD1100 Approved
0.678 Remote Similarity NPD1099 Approved
0.6767 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6757 Remote Similarity NPD7131 Phase 3
0.675 Remote Similarity NPD4760 Clinical (unspecified phase)
0.6744 Remote Similarity NPD7679 Phase 2
0.6739 Remote Similarity NPD2846 Clinical (unspecified phase)
0.6724 Remote Similarity NPD6690 Approved
0.6711 Remote Similarity NPD4647 Approved
0.6711 Remote Similarity NPD4646 Approved
0.6711 Remote Similarity NPD4648 Approved
0.6694 Remote Similarity NPD6038 Clinical (unspecified phase)
0.6693 Remote Similarity NPD1764 Approved
0.6693 Remote Similarity NPD1762 Approved
0.6692 Remote Similarity NPD2117 Pre-registration
0.6692 Remote Similarity NPD1948 Approved
0.6692 Remote Similarity NPD3624 Phase 2
0.6692 Remote Similarity NPD2116 Approved
0.6692 Remote Similarity NPD1713 Approved
0.6692 Remote Similarity NPD2115 Approved
0.6691 Remote Similarity NPD3578 Clinical (unspecified phase)
0.6691 Remote Similarity NPD7086 Phase 2
0.6667 Remote Similarity NPD3282 Phase 1
0.6667 Remote Similarity NPD1763 Approved
0.6667 Remote Similarity NPD7510 Approved
0.6667 Remote Similarity NPD1767 Approved
0.6667 Remote Similarity NPD1761 Approved
0.6667 Remote Similarity NPD2634 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1080 Approved
0.6667 Remote Similarity NPD1766 Approved
0.6667 Remote Similarity NPD1765 Approved
0.6667 Remote Similarity NPD1036 Approved
0.6667 Remote Similarity NPD1581 Approved
0.6667 Remote Similarity NPD1582 Approved
0.6667 Remote Similarity NPD3283 Phase 3
0.6667 Remote Similarity NPD6806 Phase 1
0.6646 Remote Similarity NPD7965 Phase 2
0.6646 Remote Similarity NPD7964 Clinical (unspecified phase)
0.6645 Remote Similarity NPD8303 Discontinued
0.6642 Remote Similarity NPD1781 Discontinued
0.6641 Remote Similarity NPD3149 Approved

Structure

External Identifiers

PubChem CID   99895
ChEMBL   CHEMBL1990465
ZINC  

Physicochemical Properties

Molecular Weight:  244.12
ALogP:  -1.5326
MLogP:  2.56
XLogP:  3.066
# Rotatable Bonds:  3
Polar Surface Area:  52.9
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  18

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs