Natural Product: NPC242928

Natural Product ID:  NPC242928
Common Name:   Murrayafoline A
IUPAC Name:   1-methoxy-3-methyl-9H-carbazole
Synonyms:  
Molecular Formula:   C14H13NO
Standard InCHIKey:  HDETUOZJFUNSKG-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H13NO/c1-9-7-11-10-5-3-4-6-12(10)15-14(11)13(8-9)16-2/h3-8,15H,1-2H3
Canonical SMILES:  COc1cc(C)cc2c1[nH]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 Root barks Kuantaochi, Nantou Hsien, Taiwan PMID[10924160]
NPO28744 Murraya crenulata Species Rutaceae Eukaryota TCM_Taiwan*
NPO28744 Murraya crenulata Species Rutaceae Eukaryota HerDing*
NPO3118 Murraya euchrestifolia Species Rutaceae Eukaryota HerDing*
NPO3364 Murraya koenigii Species Rutaceae Eukaryota HerDing*
NPO6724 Glycosmis stenocarpa Species Rutaceae Eukaryota HerDing*
NPO16307 Murraya kwangsiensis Species Rutaceae Eukaryota TCMID*
NPO6724 Glycosmis stenocarpa Species Rutaceae Eukaryota TCMID*
NPO3364 Murraya koenigii Species Rutaceae Eukaryota TCMID*
NPO3118 Murraya euchrestifolia Species Rutaceae Eukaryota TCMID*
NPO28744 Murraya crenulata Species Rutaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 = 15488.17 nM 10924160
NPT2 Others Unspecified GI50 = 6918.31 nM 10924160
NPT111 Cell Line K562 Homo sapiens GI50 = 25118.86 nM 10924160
NPT112 Cell Line MOLT-4 Homo sapiens GI50 = 2.512 nM 10924160
NPT2 Others Unspecified GI50 = 8709.64 nM 10924160
NPT385 Cell Line SR Homo sapiens GI50 = 10232.93 nM 10924160
NPT81 Cell Line A549 Homo sapiens GI50 = 1148.15 nM 10924160
NPT732 Cell Line HOP-18 Homo sapiens GI50 = 288.4 nM 10924160
NPT379 Cell Line HOP-62 Homo sapiens GI50 = 6309.57 nM 10924160
NPT372 Cell Line HOP-92 Homo sapiens GI50 = 23442.29 nM 10924160
NPT405 Cell Line NCI-H226 Homo sapiens GI50 = 8511.38 nM 10924160
NPT388 Cell Line NCI-H322M Homo sapiens GI50 = 12882.5 nM 10924160
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 7762.47 nM 10924160
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 4265.8 nM 10924160
NPT2 Others Unspecified GI50 = 18197.01 nM 10924160
NPT2 Others Unspecified GI50 = 9549.93 nM 10924160
NPT572 Cell Line DMS-273 Homo sapiens GI50 = 7762.47 nM 10924160
NPT407 Cell Line COLO 205 Homo sapiens GI50 = 12302.69 nM 10924160
NPT579 Cell Line DLD-1 Homo sapiens GI50 = 10471.29 nM 10924160
NPT391 Cell Line HCC 2998 Homo sapiens GI50 = 14791.08 nM 10924160
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 11481.54 nM 10924160
NPT148 Cell Line HCT-15 Homo sapiens GI50 = 7413.1 nM 10924160
NPT139 Cell Line HT-29 Homo sapiens GI50 = 7762.47 nM 10924160
NPT386 Cell Line KM12 Homo sapiens GI50 = 8128.31 nM 10924160
NPT575 Cell Line KM-20L2 Homo sapiens GI50 = 7585.78 nM 10924160
NPT323 Cell Line SW-620 Homo sapiens GI50 = 8317.64 nM 10924160
NPT395 Cell Line SF-268 Homo sapiens GI50 = 14454.4 nM 10924160
NPT374 Cell Line SF-539 Homo sapiens GI50 = 6025.6 nM 10924160
NPT383 Cell Line SNB-19 Homo sapiens GI50 = 25118.86 nM 10924160
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 25118.86 nM 10924160
NPT380 Cell Line U-251 Homo sapiens GI50 = 10471.29 nM 10924160
NPT574 Cell Line XF498 Homo sapiens GI50 = 22387.21 nM 10924160
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 12589.25 nM 10924160
NPT375 Cell Line Malme-3M Homo sapiens GI50 = 8128.31 nM 10924160
NPT387 Cell Line M14 Homo sapiens GI50 = 7244.36 nM 10924160
NPT573 Cell Line M19-MEL Homo sapiens GI50 = 18197.01 nM 10924160
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 = 7413.1 nM 10924160
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 = 16218.1 nM 10924160
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 = 9120.11 nM 10924160
NPT398 Cell Line UACC-62 Homo sapiens GI50 = 15135.61 nM 10924160
NPT458 Cell Line IGROV-1 Homo sapiens GI50 = 14791.08 nM 10924160
NPT2 Others Unspecified GI50 = 8912.51 nM 10924160
NPT2 Others Unspecified GI50 = 25118.86 nM 10924160
NPT2 Others Unspecified GI50 = 24547.09 nM 10924160
NPT2 Others Unspecified GI50 = 7413.1 nM 10924160
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 20892.96 nM 10924160
NPT401 Cell Line 786-0 Homo sapiens GI50 = 9332.54 nM 10924160
NPT369 Cell Line ACHN Homo sapiens GI50 = 23442.29 nM 10924160
NPT406 Cell Line RXF 393 Homo sapiens GI50 = 9332.54 nM 10924160
NPT368 Cell Line SN12C Homo sapiens GI50 = 14125.38 nM 10924160
NPT384 Cell Line TK-10 Homo sapiens GI50 = 25118.86 nM 10924160
NPT371 Cell Line UO-31 Homo sapiens GI50 = 15135.61 nM 10924160
NPT368 Cell Line SN12C Homo sapiens GI50 14125.38 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 23388.37 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 15031.42 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 23550.49 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 6886.52 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 6011.74 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 9183.33 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 8109.61 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 25003.45 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 8912.51 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 2.5 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 6531.31 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 10399.2 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 7328.25 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 24490.63 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 25003.45 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 7726.81 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 10280.16 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 25003.45 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 8356.03 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 18323.14 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 4246.2 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 7244.36 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 8128.31 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 22646.44 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 13031.67 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 8649.68 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 25003.45 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 12705.74 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 7328.25 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 11481.54 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 7533.56 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 14927.94 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 7447.32 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 11402.5 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 14354.89 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 18323.14 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 9638.29 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 20844.91 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 15031.42 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 7834.3 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 14791.08 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 9375.62 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 25003.45 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 15346.17 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 10543.87 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 8452.79 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 7780.37 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 16292.96 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 12416.52 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 9162.2 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 289.73 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 NPC242928 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 NPC474798
0.9489 High Similarity NPC128823
0.9027 High Similarity NPC473181
0.8989 High Similarity NPC475190
0.8978 High Similarity NPC199667
0.893 High Similarity NPC187501
0.8883 High Similarity NPC94157
0.8883 High Similarity NPC473180
0.8836 High Similarity NPC39500
0.8833 High Similarity NPC131017
0.8811 High Similarity NPC470930
0.8698 High Similarity NPC118511
0.8693 High Similarity NPC176127
0.8656 High Similarity NPC245816
0.8656 High Similarity NPC476138
0.8653 High Similarity NPC184408
0.8608 High Similarity NPC473179
0.8608 High Similarity NPC208084
0.8564 High Similarity NPC132642
0.8564 High Similarity NPC225279
0.8533 High Similarity NPC70956
0.8533 High Similarity NPC243834
0.8523 High Similarity NPC88363
0.8486 Intermediate Similarity NPC72211
0.8478 Intermediate Similarity NPC70259
0.8477 Intermediate Similarity NPC144452
0.8457 Intermediate Similarity NPC162484
0.8436 Intermediate Similarity NPC84478
0.8429 Intermediate Similarity NPC209769
0.8424 Intermediate Similarity NPC205934
0.8424 Intermediate Similarity NPC43787
0.8368 Intermediate Similarity NPC45190
0.8368 Intermediate Similarity NPC300156
0.8325 Intermediate Similarity NPC193777
0.8308 Intermediate Similarity NPC473185
0.8308 Intermediate Similarity NPC118228
0.83 Intermediate Similarity NPC179287
0.8267 Intermediate Similarity NPC274640
0.8254 Intermediate Similarity NPC267423
0.8251 Intermediate Similarity NPC296527
0.8238 Intermediate Similarity NPC185782
0.8211 Intermediate Similarity NPC475085
0.8211 Intermediate Similarity NPC291535
0.8211 Intermediate Similarity NPC475112
0.8207 Intermediate Similarity NPC76748
0.8201 Intermediate Similarity NPC329793
0.8201 Intermediate Similarity NPC19872
0.8187 Intermediate Similarity NPC42591
0.8186 Intermediate Similarity NPC475253
0.8186 Intermediate Similarity NPC474688
0.8177 Intermediate Similarity NPC212535
0.8163 Intermediate Similarity NPC476287
0.8162 Intermediate Similarity NPC92111
0.8158 Intermediate Similarity NPC476044
0.8154 Intermediate Similarity NPC208284
0.8152 Intermediate Similarity NPC246700
0.8146 Intermediate Similarity NPC473186
0.8144 Intermediate Similarity NPC201697
0.8135 Intermediate Similarity NPC249583
0.8135 Intermediate Similarity NPC4687
0.8135 Intermediate Similarity NPC283117
0.8115 Intermediate Similarity NPC199277
0.8115 Intermediate Similarity NPC135887
0.8112 Intermediate Similarity NPC26679
0.8107 Intermediate Similarity NPC473182
0.8105 Intermediate Similarity NPC176538
0.8105 Intermediate Similarity NPC329747
0.8087 Intermediate Similarity NPC94943
0.8085 Intermediate Similarity NPC251090
0.8083 Intermediate Similarity NPC476106
0.8075 Intermediate Similarity NPC307963
0.8073 Intermediate Similarity NPC475774
0.8073 Intermediate Similarity NPC223427
0.8068 Intermediate Similarity NPC39370
0.8066 Intermediate Similarity NPC478032
0.8035 Intermediate Similarity NPC26850
0.8033 Intermediate Similarity NPC190007
0.802 Intermediate Similarity NPC48353
0.799 Intermediate Similarity NPC473183
0.799 Intermediate Similarity NPC470799
0.799 Intermediate Similarity NPC8022
0.7981 Intermediate Similarity NPC473184
0.798 Intermediate Similarity NPC51388
0.797 Intermediate Similarity NPC87413
0.797 Intermediate Similarity NPC294375
0.7965 Intermediate Similarity NPC26872
0.796 Intermediate Similarity NPC292958
0.7957 Intermediate Similarity NPC128751
0.7929 Intermediate Similarity NPC308137
0.7929 Intermediate Similarity NPC310211
0.7919 Intermediate Similarity NPC471304
0.7914 Intermediate Similarity NPC469497
0.7914 Intermediate Similarity NPC106833
0.791 Intermediate Similarity NPC46561
0.7902 Intermediate Similarity NPC202503
0.7889 Intermediate Similarity NPC474409
0.7877 Intermediate Similarity NPC475844
0.7876 Intermediate Similarity NPC232727
0.7865 Intermediate Similarity NPC476167
0.7861 Intermediate Similarity NPC293151
0.7853 Intermediate Similarity NPC153042
0.785 Intermediate Similarity NPC116238
0.7846 Intermediate Similarity NPC285558
0.7845 Intermediate Similarity NPC312872
0.7812 Intermediate Similarity NPC192315
0.7801 Intermediate Similarity NPC13880
0.7799 Intermediate Similarity NPC101543
0.7799 Intermediate Similarity NPC469554
0.7796 Intermediate Similarity NPC473189
0.7794 Intermediate Similarity NPC280799
0.7772 Intermediate Similarity NPC169402
0.7772 Intermediate Similarity NPC18487
0.7766 Intermediate Similarity NPC321428
0.7754 Intermediate Similarity NPC160381
0.7751 Intermediate Similarity NPC474701
0.7745 Intermediate Similarity NPC86078
0.7734 Intermediate Similarity NPC247803
0.773 Intermediate Similarity NPC206201
0.7727 Intermediate Similarity NPC39679
0.7727 Intermediate Similarity NPC475910
0.7717 Intermediate Similarity NPC72980
0.7711 Intermediate Similarity NPC478074
0.7696 Intermediate Similarity NPC288987
0.7685 Intermediate Similarity NPC314552
0.7678 Intermediate Similarity NPC180504
0.7673 Intermediate Similarity NPC470549
0.767 Intermediate Similarity NPC141353
0.7668 Intermediate Similarity NPC267928
0.766 Intermediate Similarity NPC204385
0.7659 Intermediate Similarity NPC150239
0.7659 Intermediate Similarity NPC174760
0.765 Intermediate Similarity NPC123976
0.765 Intermediate Similarity NPC167860
0.7647 Intermediate Similarity NPC96321
0.7641 Intermediate Similarity NPC11017
0.7635 Intermediate Similarity NPC170114
0.7624 Intermediate Similarity NPC266931
0.7621 Intermediate Similarity NPC477532
0.7621 Intermediate Similarity NPC198503
0.7573 Intermediate Similarity NPC477533
0.7571 Intermediate Similarity NPC252251
0.756 Intermediate Similarity NPC227908
0.7553 Intermediate Similarity NPC284678
0.7553 Intermediate Similarity NPC204717
0.755 Intermediate Similarity NPC476465
0.7538 Intermediate Similarity NPC304183
0.7537 Intermediate Similarity NPC471080
0.7537 Intermediate Similarity NPC469592
0.7514 Intermediate Similarity NPC224764
0.7513 Intermediate Similarity NPC314002
0.75 Intermediate Similarity NPC177404
0.75 Intermediate Similarity NPC220765
0.75 Intermediate Similarity NPC477531
0.7488 Intermediate Similarity NPC314954
0.7477 Intermediate Similarity NPC24802
0.7476 Intermediate Similarity NPC473041
0.7475 Intermediate Similarity NPC11464
0.7474 Intermediate Similarity NPC171171
0.7463 Intermediate Similarity NPC470931
0.7463 Intermediate Similarity NPC3207
0.7463 Intermediate Similarity NPC477111
0.7462 Intermediate Similarity NPC121772
0.7461 Intermediate Similarity NPC99666
0.7453 Intermediate Similarity NPC209174
0.745 Intermediate Similarity NPC477113
0.7441 Intermediate Similarity NPC257851
0.7438 Intermediate Similarity NPC9894
0.7435 Intermediate Similarity NPC66083
0.7433 Intermediate Similarity NPC42979
0.7432 Intermediate Similarity NPC1527
0.7425 Intermediate Similarity NPC179365
0.7419 Intermediate Similarity NPC56618
0.7416 Intermediate Similarity NPC280272
0.7405 Intermediate Similarity NPC34508
0.7402 Intermediate Similarity NPC316981
0.7393 Intermediate Similarity NPC200888
0.7393 Intermediate Similarity NPC470018
0.7391 Intermediate Similarity NPC469594
0.7391 Intermediate Similarity NPC303658
0.7387 Intermediate Similarity NPC66815
0.7385 Intermediate Similarity NPC276517
0.7383 Intermediate Similarity NPC49547
0.738 Intermediate Similarity NPC184964
0.738 Intermediate Similarity NPC283152
0.7374 Intermediate Similarity NPC234197
0.7358 Intermediate Similarity NPC74575
0.7356 Intermediate Similarity NPC193267
0.7356 Intermediate Similarity NPC213530
0.7354 Intermediate Similarity NPC314394
0.7333 Intermediate Similarity NPC230403
0.7327 Intermediate Similarity NPC6786
0.7326 Intermediate Similarity NPC288943
0.731 Intermediate Similarity NPC77555
0.7308 Intermediate Similarity NPC16667
0.7305 Intermediate Similarity NPC473587
0.7304 Intermediate Similarity NPC5145
0.7297 Intermediate Similarity NPC314940
0.7297 Intermediate Similarity NPC473764
0.7295 Intermediate Similarity NPC477110
0.7295 Intermediate Similarity NPC288349

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC242928 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 NPD6160 Clinical (unspecified phase)
0.8342 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.8172 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.8128 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.8075 Intermediate Similarity NPD1038 Approved
0.7935 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.7908 Intermediate Similarity NPD5658 Approved
0.7897 Intermediate Similarity NPD3003 Approved
0.7865 Intermediate Similarity NPD3825 Phase 3
0.7789 Intermediate Similarity NPD4502 Phase 2
0.7778 Intermediate Similarity NPD5912 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD5913 Phase 3
0.7685 Intermediate Similarity NPD5164 Discontinued
0.768 Intermediate Similarity NPD1768 Approved
0.768 Intermediate Similarity NPD1326 Approved
0.768 Intermediate Similarity NPD1325 Approved
0.7673 Intermediate Similarity NPD5903 Approved
0.7673 Intermediate Similarity NPD5902 Approved
0.766 Intermediate Similarity NPD5256 Discontinued
0.7656 Intermediate Similarity NPD4418 Discontinued
0.7635 Intermediate Similarity NPD5612 Discontinued
0.7622 Intermediate Similarity NPD3920 Phase 2
0.7588 Intermediate Similarity NPD7452 Approved
0.7588 Intermediate Similarity NPD7222 Phase 2
0.7588 Intermediate Similarity NPD7453 Approved
0.755 Intermediate Similarity NPD2187 Approved
0.755 Intermediate Similarity NPD2189 Approved
0.7542 Intermediate Similarity NPD112 Approved
0.7542 Intermediate Similarity NPD9705 Discontinued
0.7525 Intermediate Similarity NPD5067 Phase 2
0.7525 Intermediate Similarity NPD5066 Phase 2
0.7513 Intermediate Similarity NPD4511 Phase 1
0.7488 Intermediate Similarity NPD5559 Phase 2
0.7487 Intermediate Similarity NPD5003 Discontinued
0.7474 Intermediate Similarity NPD6590 Discontinued
0.745 Intermediate Similarity NPD8403 Phase 1
0.744 Intermediate Similarity NPD3402 Phase 1
0.7438 Intermediate Similarity NPD5939 Approved
0.7438 Intermediate Similarity NPD5936 Approved
0.7436 Intermediate Similarity NPD5512 Phase 3
0.7423 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD1392 Approved
0.7413 Intermediate Similarity NPD5429 Discontinued
0.7411 Intermediate Similarity NPD2175 Phase 3
0.7411 Intermediate Similarity NPD2176 Approved
0.7411 Intermediate Similarity NPD2177 Approved
0.7404 Intermediate Similarity NPD6242 Discontinued
0.7391 Intermediate Similarity NPD6985 Discontinued
0.7391 Intermediate Similarity NPD5632 Approved
0.7391 Intermediate Similarity NPD4429 Discontinued
0.7361 Intermediate Similarity NPD4454 Phase 2
0.7358 Intermediate Similarity NPD2564 Approved
0.7358 Intermediate Similarity NPD2565 Phase 2
0.7356 Intermediate Similarity NPD3875 Discontinued
0.7353 Intermediate Similarity NPD6220 Phase 3
0.7347 Intermediate Similarity NPD6550 Discontinued
0.7345 Intermediate Similarity NPD3833 Phase 3
0.7345 Intermediate Similarity NPD3835 Phase 3
0.7343 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7323 Intermediate Similarity NPD4548 Discontinued
0.7313 Intermediate Similarity NPD4795 Phase 2
0.73 Intermediate Similarity NPD5669 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD6251 Discontinued
0.7286 Intermediate Similarity NPD1739 Approved
0.7286 Intermediate Similarity NPD1740 Approved
0.7282 Intermediate Similarity NPD1322 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3514 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7194 Discontinued
0.7263 Intermediate Similarity NPD4203 Approved
0.7263 Intermediate Similarity NPD4204 Approved
0.7246 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD6290 Phase 2
0.724 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD7678 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD5999 Phase 2
0.7222 Intermediate Similarity NPD7948 Phase 1
0.7222 Intermediate Similarity NPD6988 Phase 1
0.722 Intermediate Similarity NPD1166 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD1305 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD6491 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD3945 Discontinued
0.7196 Intermediate Similarity NPD6159 Phase 2
0.7194 Intermediate Similarity NPD3923 Approved
0.7194 Intermediate Similarity NPD3922 Approved
0.7194 Intermediate Similarity NPD3924 Approved
0.7194 Intermediate Similarity NPD3921 Approved
0.7192 Intermediate Similarity NPD3842 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD5530 Phase 1
0.7189 Intermediate Similarity NPD6741 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD3477 Phase 2
0.7171 Intermediate Similarity NPD2125 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD8396 Approved
0.715 Intermediate Similarity NPD8395 Approved
0.7143 Intermediate Similarity NPD4354 Approved
0.7143 Intermediate Similarity NPD4885 Approved
0.713 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD5479 Discontinued
0.7129 Intermediate Similarity NPD6643 Discontinued
0.7124 Intermediate Similarity NPD6503 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD3006 Discontinued
0.7112 Intermediate Similarity NPD4724 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD6150 Discontinued
0.709 Intermediate Similarity NPD9690 Approved
0.7089 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD3257 Approved
0.7077 Intermediate Similarity NPD2749 Discontinued
0.7074 Intermediate Similarity NPD5680 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD802 Phase 2
0.7067 Intermediate Similarity NPD4927 Discontinued
0.7051 Intermediate Similarity NPD5022 Discontinued
0.7048 Intermediate Similarity NPD6147 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD5522 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD3834 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD1592 Phase 3
0.7035 Intermediate Similarity NPD3791 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD3810 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD7558 Phase 2
0.703 Intermediate Similarity NPD484 Approved
0.7027 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD565 Phase 2
0.702 Intermediate Similarity NPD6569 Phase 2
0.7019 Intermediate Similarity NPD5416 Discontinued
0.7009 Intermediate Similarity NPD6736 Discontinued
0.7005 Intermediate Similarity NPD7555 Discontinued
0.6995 Remote Similarity NPD5930 Phase 3
0.6991 Remote Similarity NPD7603 Discontinued
0.699 Remote Similarity NPD6141 Clinical (unspecified phase)
0.699 Remote Similarity NPD1034 Phase 3
0.699 Remote Similarity NPD1033 Clinical (unspecified phase)
0.6986 Remote Similarity NPD6202 Discontinued
0.6986 Remote Similarity NPD3330 Phase 1
0.6984 Remote Similarity NPD1078 Clinical (unspecified phase)
0.6981 Remote Similarity NPD8109 Clinical (unspecified phase)
0.6981 Remote Similarity NPD7395 Discontinued
0.6976 Remote Similarity NPD4035 Approved
0.6976 Remote Similarity NPD4039 Approved
0.6976 Remote Similarity NPD4037 Approved
0.6976 Remote Similarity NPD31 Approved
0.6976 Remote Similarity NPD4034 Approved
0.6976 Remote Similarity NPD4036 Approved
0.6976 Remote Similarity NPD4033 Approved
0.6976 Remote Similarity NPD32 Approved
0.6976 Remote Similarity NPD4122 Approved
0.6976 Remote Similarity NPD4038 Approved
0.6976 Remote Similarity NPD3397 Phase 2
0.6967 Remote Similarity NPD2433 Clinical (unspecified phase)
0.6965 Remote Similarity NPD6769 Clinical (unspecified phase)
0.6961 Remote Similarity NPD6208 Discontinued
0.6948 Remote Similarity NPD3258 Approved
0.6947 Remote Similarity NPD6607 Clinical (unspecified phase)
0.6944 Remote Similarity NPD4890 Phase 2
0.6942 Remote Similarity NPD4305 Clinical (unspecified phase)
0.6935 Remote Similarity NPD972 Clinical (unspecified phase)
0.6935 Remote Similarity NPD1685 Approved
0.6935 Remote Similarity NPD1684 Approved
0.6934 Remote Similarity NPD3440 Clinical (unspecified phase)
0.693 Remote Similarity NPD1856 Discontinued
0.693 Remote Similarity NPD2285 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6927 Remote Similarity NPD2920 Discontinued
0.6923 Remote Similarity NPD2951 Discontinued
0.6916 Remote Similarity NPD8358 Approved
0.6911 Remote Similarity NPD5065 Approved
0.6909 Remote Similarity NPD3746 Discontinued
0.6905 Remote Similarity NPD3816 Phase 1
0.6905 Remote Similarity NPD3815 Phase 1
0.6904 Remote Similarity NPD2383 Phase 1
0.6901 Remote Similarity NPD3354 Phase 2
0.6897 Remote Similarity NPD2778 Approved
0.6897 Remote Similarity NPD3814 Phase 1
0.6895 Remote Similarity NPD6969 Phase 2
0.6895 Remote Similarity NPD6968 Phase 2
0.6891 Remote Similarity NPD8386 Phase 2
0.6888 Remote Similarity NPD4889 Approved
0.6884 Remote Similarity NPD4881 Clinical (unspecified phase)
0.6878 Remote Similarity NPD6494 Phase 2
0.6878 Remote Similarity NPD1897 Discontinued
0.6875 Remote Similarity NPD7671 Approved
0.6875 Remote Similarity NPD7672 Approved
0.6868 Remote Similarity NPD4463 Approved
0.6868 Remote Similarity NPD4462 Approved
0.6866 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6864 Remote Similarity NPD1867 Approved
0.6857 Remote Similarity NPD7468 Clinical (unspecified phase)
0.6856 Remote Similarity NPD5482 Discontinued
0.6853 Remote Similarity NPD4919 Phase 3
0.6853 Remote Similarity NPD4921 Phase 3
0.6853 Remote Similarity NPD6961 Discontinued
0.6853 Remote Similarity NPD4920 Clinical (unspecified phase)
0.6852 Remote Similarity NPD7219 Approved
0.6852 Remote Similarity NPD7221 Approved
0.6845 Remote Similarity NPD6991 Approved
0.6845 Remote Similarity NPD6324 Phase 1
0.6839 Remote Similarity NPD3504 Approved
0.6839 Remote Similarity NPD3503 Approved
0.6839 Remote Similarity NPD4071 Approved

Structure

External Identifiers

PubChem CID   375150
ChEMBL   CHEMBL490667
ZINC  

Physicochemical Properties

Molecular Weight:  211.10
ALogP:  0.1698
MLogP:  2.78
XLogP:  3.746
# Rotatable Bonds:  3
Polar Surface Area:  25.02
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  16

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Biological Activities  
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