Natural Product: NPC94157

Natural Product ID:  NPC94157
Common Name:   Sid506299
IUPAC Name:   1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazole
Synonyms:  
Molecular Formula:   C28H24N2O2
Standard InCHIKey:  BWIDIGNNLPIYNM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C28H24N2O2/c1-17-12-22-20-9-5-7-11-24(20)30(28(22)26(13-17)32-3)16-18-14-21-19-8-4-6-10-23(19)29-27(21)25(15-18)31-2/h4-15,29H,16H2,1-3H3
Canonical SMILES:  COc1cc(C)cc2c1n(Cc1cc(OC)c3c(c1)c1ccccc1[nH]3)c1c2cccc1
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
NPO3118 Murraya euchrestifolia Species Rutaceae Eukaryota stem bark;fruit PMID[10924160]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT393 Cell Line HCT-116 Homo sapiens GI50 25003.45 nM 16309317
NPT112 Cell Line MOLT-4 Homo sapiens GI50 8511.38 nM 11809072
NPT395 Cell Line SF-268 Homo sapiens GI50 17498.47 nM 21417387
NPT148 Cell Line HCT-15 Homo sapiens GI50 16788.04 nM 25735399
NPT374 Cell Line SF-539 Homo sapiens GI50 9840.11 nM 11473410
NPT574 Cell Line XF498 Homo sapiens GI50 = 25118.86 nM 26083682
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 8128.31 nM 26083682
NPT323 Cell Line SW-620 Homo sapiens GI50 = 13489.63 nM 26083682
NPT395 Cell Line SF-268 Homo sapiens GI50 = 17378.01 nM 26083682
NPT386 Cell Line KM12 Homo sapiens GI50 = 10232.93 nM 12932146
NPT575 Cell Line KM-20L2 Homo sapiens GI50 = 15488.17 nM 12141856
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 22908.68 nM 18336005
NPT380 Cell Line U-251 Homo sapiens GI50 = 25118.86 nM 18336005
NPT374 Cell Line SF-539 Homo sapiens GI50 = 9772.37 nM 18336005
NPT383 Cell Line SNB-19 Homo sapiens GI50 = 25118.86 nM 18336005
NPT111 Cell Line K562 Homo sapiens GI50 9705.1 nM 17190444
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 25003.45 nM 15974627
NPT372 Cell Line HOP-92 Homo sapiens GI50 5395.11 nM 21215622
NPT385 Cell Line SR Homo sapiens GI50 16634.13 nM 22946634
NPT397 Cell Line NCI-H460 Homo sapiens GI50 10839.27 nM Open TG-GATES in vivo data: Pathology
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 25003.45 nM 26331426
NPT573 Cell Line M19-MEL Homo sapiens GI50 25003.45 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 12274.39 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 25003.45 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 = 25118.86 nM 25314007
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 10715.19 nM 25314007
NPT81 Cell Line A549 Homo sapiens GI50 = 23442.29 nM 25314007
NPT379 Cell Line HOP-62 Homo sapiens GI50 = 6606.93 nM 25314007
NPT372 Cell Line HOP-92 Homo sapiens GI50 = 5370.32 nM 25314007
NPT405 Cell Line NCI-H226 Homo sapiens GI50 = 16982.44 nM 25314007
NPT111 Cell Line K562 Homo sapiens GI50 = 9772.37 nM 25314007
NPT112 Cell Line MOLT-4 Homo sapiens GI50 = 8511.38 nM 26848627
NPT2 Others Unspecified GI50 = 25118.86 nM 26848627
NPT385 Cell Line SR Homo sapiens GI50 = 16595.87 nM 26848627
NPT572 Cell Line DMS-273 Homo sapiens GI50 15135.61 nM 18442289
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 = 12022.64 nM DrugMatrix in vitro pharmacology data
NPT405 Cell Line NCI-H226 Homo sapiens GI50 16982.44 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 25003.45 nM 25316316
NPT139 Cell Line HT-29 Homo sapiens GI50 = 16982.44 nM 15497941
NPT148 Cell Line HCT-15 Homo sapiens GI50 = 16982.44 nM 18078747
NPT579 Cell Line DLD-1 Homo sapiens GI50 = 25118.86 nM 18095654
NPT407 Cell Line COLO 205 Homo sapiens GI50 = 25118.86 nM 16854055
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 25118.86 nM 18851910
NPT391 Cell Line HCC 2998 Homo sapiens GI50 = 25118.86 nM 18851910
NPT2 Others Unspecified GI50 = 16982.44 nM 18851910
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 5370.32 nM 8904842
NPT572 Cell Line DMS-273 Homo sapiens GI50 = 15135.61 nM 8904842
NPT2 Others Unspecified GI50 = 19952.62 nM 8904842
NPT380 Cell Line U-251 Homo sapiens GI50 25003.45 nM 14695800
NPT368 Cell Line SN12C Homo sapiens GI50 25003.45 nM 9917283
NPT407 Cell Line COLO 205 Homo sapiens GI50 25003.45 nM 21625478
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 11994.99 nM 20553004
NPT2 Others Unspecified GI50 = 12302.69 nM 22372931
NPT575 Cell Line KM-20L2 Homo sapiens GI50 15417 nM 18650090
NPT574 Cell Line XF498 Homo sapiens GI50 25003.45 nM 18443128
NPT401 Cell Line 786-0 Homo sapiens GI50 25003.45 nM 19738026
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 10495.42 nM 20696876
NPT323 Cell Line SW-620 Homo sapiens GI50 13427.65 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified GI50 = 10471.29 nM 10.1007/s00044-011-9876-x
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 25118.86 nM 10.1007/s00044-011-9876-x
NPT401 Cell Line 786-0 Homo sapiens GI50 = 25118.86 nM 10.1007/s00044-011-9876-x
NPT369 Cell Line ACHN Homo sapiens GI50 = 12302.69 nM 10.1007/s00044-011-9876-x
NPT368 Cell Line SN12C Homo sapiens GI50 = 25118.86 nM 10.1007/s00044-011-9876-x
NPT384 Cell Line TK-10 Homo sapiens GI50 = 25118.86 nM 10.1007/s00044-011-9876-x
NPT371 Cell Line UO-31 Homo sapiens GI50 = 25118.86 nM 10.1007/s00044-011-9808-9
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 25003.45 nM 26035018
NPT578 Cell Line SNB-78 Homo sapiens GI50 23120.65 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 23173.95 nM 16933872
NPT386 Cell Line KM12 Homo sapiens GI50 10232.93 nM 14640511
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 25003.45 nM 17844994
NPT388 Cell Line NCI-H322M Homo sapiens GI50 25003.45 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 25003.45 nM 17894480
NPT576 Cell Line DMS-114 Homo sapiens GI50 19998.62 nM Open TG-GATES in vivo data: Hematology
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 10209.39 nM Open TG-GATES in vivo data: Biochemistry
NPT383 Cell Line SNB-19 Homo sapiens GI50 25003.45 nM Open TG-GATES in vivo data: Biochemistry
NPT387 Cell Line M14 Homo sapiens GI50 6266.14 nM Open TG-GATES in vivo data: Organ Weight
NPT375 Cell Line Malme-3M Homo sapiens GI50 25003.45 nM Open TG-GATES in vivo data: Organ Weight
NPT369 Cell Line ACHN Homo sapiens GI50 12189.9 nM 19754130
NPT379 Cell Line HOP-62 Homo sapiens GI50 6622.17 nM 17190456
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 = 25118.86 nM 15043424
NPT573 Cell Line M19-MEL Homo sapiens GI50 = 25118.86 nM 15043424
NPT387 Cell Line M14 Homo sapiens GI50 = 6309.57 nM 15387640
NPT375 Cell Line Malme-3M Homo sapiens GI50 = 25118.86 nM 9157192
NPT458 Cell Line IGROV-1 Homo sapiens GI50 = 25118.86 nM 9157192
NPT398 Cell Line UACC-62 Homo sapiens GI50 = 15135.61 nM 9157192
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 = 25118.86 nM 9917283
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 = 25118.86 nM 9917283
NPT2 Others Unspecified GI50 = 25118.86 nM 9917283
NPT2 Others Unspecified GI50 = 10232.93 nM 9917283
NPT384 Cell Line TK-10 Homo sapiens GI50 25003.45 nM 24926807
NPT455 Cell Line NCI-H522 Homo sapiens GI50 5432.5 nM 26200396
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 25003.45 nM 17261619
NPT139 Cell Line HT-29 Homo sapiens GI50 16943.38 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 16943.38 nM 10.6019/CHEMBL1201861
NPT398 Cell Line UACC-62 Homo sapiens GI50 14996.85 nM 10.6019/CHEMBL1201861
NPT390 Cell Line LOX IMVI Homo sapiens GI50 8184.65 nM 20392109
NPT371 Cell Line UO-31 Homo sapiens GI50 25003.45 nM 3404153
NPT579 Cell Line DLD-1 Homo sapiens GI50 25003.45 nM 19349520

  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 NPC94157 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
0.9641 High Similarity NPC132642
0.9353 High Similarity NPC473185
0.9278 High Similarity NPC199667
0.9227 High Similarity NPC473181
0.9216 High Similarity NPC475253
0.9184 High Similarity NPC473180
0.9082 High Similarity NPC39370
0.9078 High Similarity NPC473186
0.9005 High Similarity NPC473179
0.8995 High Similarity NPC473183
0.89 High Similarity NPC473184
0.8883 High Similarity NPC242928
0.868 High Similarity NPC475774
0.8667 High Similarity NPC128823
0.8564 High Similarity NPC474798
0.8502 High Similarity NPC477533
0.8498 Intermediate Similarity NPC473182
0.8451 Intermediate Similarity NPC469554
0.8382 Intermediate Similarity NPC208284
0.8364 Intermediate Similarity NPC101543
0.8358 Intermediate Similarity NPC470930
0.831 Intermediate Similarity NPC314954
0.8308 Intermediate Similarity NPC476138
0.8308 Intermediate Similarity NPC245816
0.8302 Intermediate Similarity NPC202503
0.825 Intermediate Similarity NPC329793
0.8238 Intermediate Similarity NPC473189
0.8229 Intermediate Similarity NPC176127
0.8223 Intermediate Similarity NPC475190
0.8182 Intermediate Similarity NPC131017
0.8164 Intermediate Similarity NPC26679
0.8157 Intermediate Similarity NPC180504
0.8134 Intermediate Similarity NPC170114
0.8131 Intermediate Similarity NPC227908
0.8128 Intermediate Similarity NPC162484
0.8125 Intermediate Similarity NPC39500
0.8122 Intermediate Similarity NPC92111
0.8116 Intermediate Similarity NPC187501
0.8113 Intermediate Similarity NPC477532
0.8107 Intermediate Similarity NPC185782
0.8088 Intermediate Similarity NPC285558
0.8086 Intermediate Similarity NPC470549
0.8071 Intermediate Similarity NPC76748
0.8069 Intermediate Similarity NPC329747
0.8068 Intermediate Similarity NPC471304
0.806 Intermediate Similarity NPC72211
0.8056 Intermediate Similarity NPC252251
0.804 Intermediate Similarity NPC307963
0.8039 Intermediate Similarity NPC223427
0.802 Intermediate Similarity NPC296527
0.8019 Intermediate Similarity NPC209769
0.801 Intermediate Similarity NPC70956
0.801 Intermediate Similarity NPC243834
0.7991 Intermediate Similarity NPC144452
0.7982 Intermediate Similarity NPC477531
0.7981 Intermediate Similarity NPC225279
0.798 Intermediate Similarity NPC19872
0.798 Intermediate Similarity NPC176538
0.7972 Intermediate Similarity NPC184408
0.796 Intermediate Similarity NPC70259
0.7952 Intermediate Similarity NPC478074
0.7952 Intermediate Similarity NPC476287
0.7952 Intermediate Similarity NPC469592
0.7952 Intermediate Similarity NPC471080
0.7941 Intermediate Similarity NPC267423
0.7936 Intermediate Similarity NPC209174
0.7934 Intermediate Similarity NPC208084
0.7933 Intermediate Similarity NPC201697
0.793 Intermediate Similarity NPC26543
0.7923 Intermediate Similarity NPC193777
0.791 Intermediate Similarity NPC43787
0.791 Intermediate Similarity NPC205934
0.7908 Intermediate Similarity NPC84478
0.7897 Intermediate Similarity NPC86078
0.7877 Intermediate Similarity NPC8022
0.7877 Intermediate Similarity NPC470799
0.7876 Intermediate Similarity NPC56618
0.7871 Intermediate Similarity NPC251090
0.7861 Intermediate Similarity NPC473178
0.7818 Intermediate Similarity NPC474688
0.7816 Intermediate Similarity NPC475112
0.7816 Intermediate Similarity NPC291535
0.7816 Intermediate Similarity NPC475085
0.781 Intermediate Similarity NPC167860
0.781 Intermediate Similarity NPC123976
0.7808 Intermediate Similarity NPC274640
0.7804 Intermediate Similarity NPC96321
0.7804 Intermediate Similarity NPC469594
0.7799 Intermediate Similarity NPC475910
0.7795 Intermediate Similarity NPC88363
0.7788 Intermediate Similarity NPC300156
0.7788 Intermediate Similarity NPC45190
0.7778 Intermediate Similarity NPC477066
0.7767 Intermediate Similarity NPC476044
0.7756 Intermediate Similarity NPC18487
0.7743 Intermediate Similarity NPC478081
0.7739 Intermediate Similarity NPC473188
0.7737 Intermediate Similarity NPC118511
0.7736 Intermediate Similarity NPC48353
0.7703 Intermediate Similarity NPC476106
0.77 Intermediate Similarity NPC266931
0.7689 Intermediate Similarity NPC11408
0.7685 Intermediate Similarity NPC292958
0.7685 Intermediate Similarity NPC213530
0.7685 Intermediate Similarity NPC193267
0.7682 Intermediate Similarity NPC53534
0.7681 Intermediate Similarity NPC232727
0.7679 Intermediate Similarity NPC473187
0.7678 Intermediate Similarity NPC469589
0.7671 Intermediate Similarity NPC179287
0.7668 Intermediate Similarity NPC329631
0.7665 Intermediate Similarity NPC477067
0.7665 Intermediate Similarity NPC478082
0.7664 Intermediate Similarity NPC118228
0.7662 Intermediate Similarity NPC246700
0.7661 Intermediate Similarity NPC280272
0.7642 Intermediate Similarity NPC5145
0.7639 Intermediate Similarity NPC303658
0.763 Intermediate Similarity NPC477111
0.7623 Intermediate Similarity NPC49547
0.7621 Intermediate Similarity NPC217554
0.7619 Intermediate Similarity NPC472111
0.761 Intermediate Similarity NPC13880
0.7609 Intermediate Similarity NPC471891
0.7593 Intermediate Similarity NPC305984
0.7588 Intermediate Similarity NPC473540
0.7585 Intermediate Similarity NPC476167
0.7578 Intermediate Similarity NPC476451
0.7573 Intermediate Similarity NPC267928
0.7571 Intermediate Similarity NPC475070
0.7565 Intermediate Similarity NPC475666
0.7563 Intermediate Similarity NPC152620
0.756 Intermediate Similarity NPC199277
0.756 Intermediate Similarity NPC135887
0.7559 Intermediate Similarity NPC11464
0.7558 Intermediate Similarity NPC473041
0.7557 Intermediate Similarity NPC470018
0.7556 Intermediate Similarity NPC277351
0.7549 Intermediate Similarity NPC99666
0.7548 Intermediate Similarity NPC11017
0.7548 Intermediate Similarity NPC249040
0.7547 Intermediate Similarity NPC476465
0.7545 Intermediate Similarity NPC51388
0.7544 Intermediate Similarity NPC475844
0.7536 Intermediate Similarity NPC192315
0.7534 Intermediate Similarity NPC280799
0.7532 Intermediate Similarity NPC17437
0.7525 Intermediate Similarity NPC473177
0.7523 Intermediate Similarity NPC74575
0.7523 Intermediate Similarity NPC257851
0.7522 Intermediate Similarity NPC81939
0.7522 Intermediate Similarity NPC208522
0.7522 Intermediate Similarity NPC295228
0.7522 Intermediate Similarity NPC284141
0.7512 Intermediate Similarity NPC94943
0.7512 Intermediate Similarity NPC84853
0.7512 Intermediate Similarity NPC476041
0.7512 Intermediate Similarity NPC304926
0.7512 Intermediate Similarity NPC476116
0.75 Intermediate Similarity NPC4687
0.75 Intermediate Similarity NPC249583
0.7489 Intermediate Similarity NPC15801
0.7489 Intermediate Similarity NPC472099
0.7488 Intermediate Similarity NPC472098
0.7488 Intermediate Similarity NPC153042
0.7488 Intermediate Similarity NPC128751
0.7488 Intermediate Similarity NPC294620
0.7487 Intermediate Similarity NPC478032
0.7478 Intermediate Similarity NPC24802
0.7475 Intermediate Similarity NPC171171
0.7465 Intermediate Similarity NPC470931
0.7465 Intermediate Similarity NPC287208
0.7465 Intermediate Similarity NPC82548
0.7465 Intermediate Similarity NPC477110
0.7463 Intermediate Similarity NPC190007
0.7455 Intermediate Similarity NPC310118
0.7454 Intermediate Similarity NPC271215
0.7454 Intermediate Similarity NPC149471
0.7453 Intermediate Similarity NPC477113
0.7451 Intermediate Similarity NPC469497
0.7451 Intermediate Similarity NPC106833
0.7444 Intermediate Similarity NPC478078
0.7444 Intermediate Similarity NPC157931
0.7442 Intermediate Similarity NPC294375
0.7426 Intermediate Similarity NPC314002
0.7426 Intermediate Similarity NPC42591
0.7424 Intermediate Similarity NPC477861
0.7418 Intermediate Similarity NPC283117
0.7416 Intermediate Similarity NPC476582
0.7416 Intermediate Similarity NPC4071
0.7416 Intermediate Similarity NPC476578
0.7415 Intermediate Similarity NPC478080
0.7413 Intermediate Similarity NPC212535
0.7411 Intermediate Similarity NPC253580
0.7411 Intermediate Similarity NPC311906
0.7407 Intermediate Similarity NPC316981
0.7404 Intermediate Similarity NPC77555
0.7399 Intermediate Similarity NPC103687
0.7399 Intermediate Similarity NPC132631
0.7397 Intermediate Similarity NPC46561

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC94157 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
0.8384 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.8186 Intermediate Similarity NPD7222 Phase 2
0.816 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD7452 Approved
0.8098 Intermediate Similarity NPD7453 Approved
0.8058 Intermediate Similarity NPD5658 Approved
0.804 Intermediate Similarity NPD1038 Approved
0.804 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7981 Intermediate Similarity NPD7678 Clinical (unspecified phase)
0.794 Intermediate Similarity NPD5913 Phase 3
0.794 Intermediate Similarity NPD5912 Clinical (unspecified phase)
0.7915 Intermediate Similarity NPD5903 Approved
0.7915 Intermediate Similarity NPD5902 Approved
0.7874 Intermediate Similarity NPD3003 Approved
0.7822 Intermediate Similarity NPD4418 Discontinued
0.7788 Intermediate Similarity NPD8403 Phase 1
0.7778 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7773 Intermediate Similarity NPD4502 Phase 2
0.7756 Intermediate Similarity NPD3825 Phase 3
0.7727 Intermediate Similarity NPD5559 Phase 2
0.7721 Intermediate Similarity NPD6985 Discontinued
0.771 Intermediate Similarity NPD5612 Discontinued
0.7685 Intermediate Similarity NPD7194 Discontinued
0.7685 Intermediate Similarity NPD3402 Phase 1
0.7685 Intermediate Similarity NPD3875 Discontinued
0.7668 Intermediate Similarity NPD6741 Clinical (unspecified phase)
0.7662 Intermediate Similarity NPD6503 Clinical (unspecified phase)
0.765 Intermediate Similarity NPD6242 Discontinued
0.765 Intermediate Similarity NPD5256 Discontinued
0.7619 Intermediate Similarity NPD5530 Phase 1
0.7598 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7585 Intermediate Similarity NPD8396 Approved
0.7585 Intermediate Similarity NPD1768 Approved
0.7585 Intermediate Similarity NPD8395 Approved
0.7547 Intermediate Similarity NPD2189 Approved
0.7547 Intermediate Similarity NPD2187 Approved
0.7545 Intermediate Similarity NPD4885 Approved
0.7532 Intermediate Similarity NPD8358 Approved
0.7512 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7511 Intermediate Similarity NPD7558 Phase 2
0.7488 Intermediate Similarity NPD7948 Phase 1
0.7477 Intermediate Similarity NPD4429 Discontinued
0.7476 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD5479 Discontinued
0.7446 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD3006 Discontinued
0.7442 Intermediate Similarity NPD5066 Phase 2
0.7442 Intermediate Similarity NPD5067 Phase 2
0.7442 Intermediate Similarity NPD5936 Approved
0.7442 Intermediate Similarity NPD5939 Approved
0.7429 Intermediate Similarity NPD4511 Phase 1
0.7419 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7418 Intermediate Similarity NPD1392 Approved
0.7411 Intermediate Similarity NPD7555 Discontinued
0.7406 Intermediate Similarity NPD4795 Phase 2
0.7404 Intermediate Similarity NPD7659 Discontinued
0.7398 Intermediate Similarity NPD1326 Approved
0.7398 Intermediate Similarity NPD1325 Approved
0.7397 Intermediate Similarity NPD5632 Approved
0.7387 Intermediate Similarity NPD6159 Phase 2
0.7364 Intermediate Similarity NPD3763 Approved
0.7364 Intermediate Similarity NPD3514 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD3477 Phase 2
0.7352 Intermediate Similarity NPD5164 Discontinued
0.735 Intermediate Similarity NPD3920 Phase 2
0.7349 Intermediate Similarity NPD2125 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD2175 Phase 3
0.7333 Intermediate Similarity NPD5999 Phase 2
0.7333 Intermediate Similarity NPD2176 Approved
0.7333 Intermediate Similarity NPD2177 Approved
0.7333 Intermediate Similarity NPD7710 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD6769 Clinical (unspecified phase)
0.7318 Intermediate Similarity NPD8109 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD5669 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD6961 Discontinued
0.7302 Intermediate Similarity NPD7672 Approved
0.7302 Intermediate Similarity NPD7671 Approved
0.7296 Intermediate Similarity NPD5044 Phase 2
0.7295 Intermediate Similarity NPD3923 Approved
0.7295 Intermediate Similarity NPD3924 Approved
0.7295 Intermediate Similarity NPD3922 Approved
0.7295 Intermediate Similarity NPD3921 Approved
0.7295 Intermediate Similarity NPD8363 Approved
0.7295 Intermediate Similarity NPD8364 Approved
0.7294 Intermediate Similarity NPD1322 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD4454 Phase 2
0.7289 Intermediate Similarity NPD7994 Phase 2
0.7284 Intermediate Similarity NPD6773 Clinical (unspecified phase)
0.7281 Intermediate Similarity NPD6220 Phase 3
0.7281 Intermediate Similarity NPD6494 Phase 2
0.7277 Intermediate Similarity NPD4204 Approved
0.7277 Intermediate Similarity NPD4203 Approved
0.7277 Intermediate Similarity NPD6976 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6449 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD7219 Approved
0.7265 Intermediate Similarity NPD7221 Approved
0.7256 Intermediate Similarity NPD5429 Discontinued
0.7256 Intermediate Similarity NPD6290 Phase 2
0.7253 Intermediate Similarity NPD7068 Approved
0.7253 Intermediate Similarity NPD7067 Approved
0.7251 Intermediate Similarity NPD4548 Discontinued
0.7248 Intermediate Similarity NPD3815 Phase 1
0.7248 Intermediate Similarity NPD3330 Phase 1
0.7248 Intermediate Similarity NPD3816 Phase 1
0.7244 Intermediate Similarity NPD7603 Discontinued
0.7243 Intermediate Similarity NPD32 Approved
0.7243 Intermediate Similarity NPD31 Approved
0.7243 Intermediate Similarity NPD4034 Approved
0.7243 Intermediate Similarity NPD4035 Approved
0.7243 Intermediate Similarity NPD4037 Approved
0.7243 Intermediate Similarity NPD4036 Approved
0.7243 Intermediate Similarity NPD4039 Approved
0.7243 Intermediate Similarity NPD4038 Approved
0.7243 Intermediate Similarity NPD4033 Approved
0.7243 Intermediate Similarity NPD4122 Approved
0.7238 Intermediate Similarity NPD5003 Discontinued
0.7236 Intermediate Similarity NPD8365 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD8464 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD6643 Discontinued
0.7225 Intermediate Similarity NPD6969 Phase 2
0.7225 Intermediate Similarity NPD6968 Phase 2
0.7217 Intermediate Similarity NPD1739 Approved
0.7217 Intermediate Similarity NPD1740 Approved
0.7212 Intermediate Similarity NPD6978 Phase 2
0.7212 Intermediate Similarity NPD6569 Phase 2
0.7212 Intermediate Similarity NPD6977 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD6991 Approved
0.719 Intermediate Similarity NPD6550 Discontinued
0.7188 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD802 Phase 2
0.7173 Intermediate Similarity NPD3835 Phase 3
0.7173 Intermediate Similarity NPD6243 Phase 3
0.7173 Intermediate Similarity NPD6244 Phase 3
0.7173 Intermediate Similarity NPD5482 Discontinued
0.7173 Intermediate Similarity NPD3833 Phase 3
0.7167 Intermediate Similarity NPD8244 Phase 2
0.7163 Intermediate Similarity NPD3397 Phase 2
0.7162 Intermediate Similarity NPD3746 Discontinued
0.7162 Intermediate Similarity NPD7395 Discontinued
0.7157 Intermediate Similarity NPD5522 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD6607 Clinical (unspecified phase)
0.7149 Intermediate Similarity NPD6147 Clinical (unspecified phase)
0.7149 Intermediate Similarity NPD5022 Discontinued
0.7143 Intermediate Similarity NPD4442 Phase 2
0.7143 Intermediate Similarity NPD6590 Discontinued
0.7143 Intermediate Similarity NPD6595 Phase 3
0.7143 Intermediate Similarity NPD4881 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6491 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD3945 Discontinued
0.7131 Intermediate Similarity NPD6456 Discontinued
0.713 Intermediate Similarity NPD3842 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD4890 Phase 2
0.7124 Intermediate Similarity NPD8016 Phase 3
0.7124 Intermediate Similarity NPD8017 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD7719 Discontinued
0.7119 Intermediate Similarity NPD8100 Phase 3
0.7108 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.7106 Intermediate Similarity NPD7592 Phase 2
0.7104 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD1033 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD1034 Phase 3
0.71 Intermediate Similarity NPD5680 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD5930 Phase 3
0.7093 Intermediate Similarity NPD7050 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD7051 Phase 3
0.7092 Intermediate Similarity NPD112 Approved
0.7092 Intermediate Similarity NPD9705 Discontinued
0.7091 Intermediate Similarity NPD6202 Discontinued
0.7089 Intermediate Similarity NPD7868 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD7424 Clinical (unspecified phase)
0.7085 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7082 Intermediate Similarity NPD6750 Phase 2
0.7075 Intermediate Similarity NPD6988 Phase 1
0.7074 Intermediate Similarity NPD7567 Approved
0.7074 Intermediate Similarity NPD5801 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD6965 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD7726 Phase 1
0.7064 Intermediate Similarity NPD6517 Phase 3
0.7062 Intermediate Similarity NPD6251 Discontinued
0.7052 Intermediate Similarity NPD8465 Approved
0.7052 Intermediate Similarity NPD8429 Approved
0.7052 Intermediate Similarity NPD8467 Approved
0.7052 Intermediate Similarity NPD8428 Approved
0.7052 Intermediate Similarity NPD8466 Approved
0.7052 Intermediate Similarity NPD8427 Approved
0.7051 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD6150 Discontinued
0.7048 Intermediate Similarity NPD6247 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD7470 Discontinued
0.7045 Intermediate Similarity NPD5416 Discontinued
0.7043 Intermediate Similarity NPD7688 Phase 1
0.704 Intermediate Similarity NPD3440 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD4344 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   375158
ChEMBL   CHEMBL496078
ZINC  

Physicochemical Properties

Molecular Weight:  420.18
ALogP:  0.1428
MLogP:  4.1
XLogP:  6.887
# Rotatable Bonds:  7
Polar Surface Area:  39.18
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  32

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Structure MOL file  
Source Organisms  
Biological Activities  
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