Natural Product: NPC471613

Natural Product ID:  NPC471613
Common Name:   2-(1-Hydroethyl)Naphtho[2,3-B]Furan-4,9-Dione
IUPAC Name:   2-(1-hydroxyethyl)benzo[f][1]benzofuran-4,9-dione
Synonyms:  
Molecular Formula:   C14H10O4
Standard InCHIKey:  SAXKEWRSGLPYPB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H10O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-7,15H,1H3
Canonical SMILES:  CC(c1cc2c(o1)C(=O)c1c(C2=O)cccc1)O
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
NPO20768 Ekmanianthe longiflora Species Bignoniaceae Eukaryota roots PMID[10785421]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC12 = 14 ug/ml 20516285
NPT2 Others Unspecified IC50 = 15000 nM 20516285
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 3000 nM 20516285
NPT1851 Cell Line Col2 Homo sapiens ED50 = 1.8 ug/ml 15921415
NPT2 Others Unspecified ED50 = 0.2 ug/ml 12444684
NPT2 Others Unspecified ED50 = 2 ug/ml 19105653
NPT858 Cell Line LNCaP Homo sapiens ED50 = 3.5 ug/ml 19105653
NPT2 Others Unspecified ED50 = 1.2 ug/ml 25650896
NPT2345 Cell Line SW626 Homo sapiens ED50 = 0.3 ug/ml 10924160
NPT136 Cell Line SK-N-SH Homo sapiens ED50 = 4 ug/ml 10924160
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 0.41 ug/ml 25115700
NPT1034 Cell Line Lu1 Homo sapiens Inhibition = 0 % 8676127
NPT858 Cell Line LNCaP Homo sapiens IC50 = 14500 nM 9514009
NPT2 Others Unspecified IC50 = 4900 nM 9514009
NPT91 Cell Line KB Homo sapiens IC50 = 2100 nM 9514009
NPT1851 Cell Line Col2 Homo sapiens IC50 = 7400 nM 9514009
NPT2 Others Unspecified IC50 = 13200 nM 9514009
NPT83 Cell Line MCF7 Homo sapiens IC50 = 2500 nM 9514009
NPT1034 Cell Line Lu1 Homo sapiens IC50 = 800 nM 9514009
NPT32 Organism Mus musculus Mus musculus Activity = -0.4 ug 19506058
NPT726 Cell Line M109 Mus musculus ED50 = 1.8 ug/ml 16038546
NPT2 Others Unspecified ED50 = 3.2 ug/ml 16417306
NPT91 Cell Line KB Homo sapiens ED50 = 0.5 ug/ml 17067157
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 627 nM PubChem BioAssay data set
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 718 nM PubChem BioAssay data set
NPT2 Others Unspecified Ratio = 6.18 PubChem BioAssay data set
NPT91 Cell Line KB Homo sapiens ED50 = 2 ug/ml 10.6019/CHEMBL1201861
NPT168 Cell Line P388 Mus musculus IC50 = 400 nM 19782567
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 = 1200 nM 19782567
NPT2345 Cell Line SW626 Homo sapiens IC50 = 1200 nM 20070106
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC12 = 14 ug/ml 23756062
NPT91 Cell Line KB Homo sapiens ED50 = 8.9 nM 8133298
NPT2 Others Unspecified Ratio = 5.4 8133298
NPT941 Cell Line HaCaT Homo sapiens IC50 = 3700 nM 12643896
NPT91 Cell Line KB Homo sapiens ED50 = 2 ug/ml 17846127
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC12 = 180 ug/ml DrugMatrix in vitro pharmacology data

  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 NPC471613 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
0.9664 High Similarity NPC473282
0.9664 High Similarity NPC317900
0.9664 High Similarity NPC104380
0.9664 High Similarity NPC294300
0.9664 High Similarity NPC476404
0.9664 High Similarity NPC217602
0.9655 High Similarity NPC280025
0.9195 High Similarity NPC226578
0.9097 High Similarity NPC265181
0.906 High Similarity NPC252208
0.8831 High Similarity NPC88958
0.8812 High Similarity NPC44602
0.8782 High Similarity NPC299094
0.8782 High Similarity NPC10051
0.8616 High Similarity NPC472780
0.8616 High Similarity NPC269117
0.8616 High Similarity NPC472783
0.859 High Similarity NPC179170
0.8562 High Similarity NPC469425
0.8553 High Similarity NPC472781
0.8553 High Similarity NPC472782
0.8471 Intermediate Similarity NPC158261
0.8471 Intermediate Similarity NPC42458
0.8466 Intermediate Similarity NPC186392
0.8462 Intermediate Similarity NPC145830
0.8457 Intermediate Similarity NPC472784
0.8408 Intermediate Similarity NPC275878
0.8395 Intermediate Similarity NPC475779
0.8387 Intermediate Similarity NPC192069
0.8375 Intermediate Similarity NPC287559
0.8375 Intermediate Similarity NPC228501
0.8366 Intermediate Similarity NPC469385
0.8365 Intermediate Similarity NPC221992
0.8354 Intermediate Similarity NPC95715
0.8354 Intermediate Similarity NPC472786
0.8323 Intermediate Similarity NPC18986
0.8313 Intermediate Similarity NPC140952
0.8301 Intermediate Similarity NPC117674
0.8282 Intermediate Similarity NPC121995
0.8282 Intermediate Similarity NPC472581
0.8278 Intermediate Similarity NPC18904
0.8278 Intermediate Similarity NPC477408
0.8267 Intermediate Similarity NPC177262
0.8253 Intermediate Similarity NPC313717
0.8253 Intermediate Similarity NPC315306
0.8253 Intermediate Similarity NPC28042
0.825 Intermediate Similarity NPC81405
0.825 Intermediate Similarity NPC478223
0.8247 Intermediate Similarity NPC93241
0.8247 Intermediate Similarity NPC27798
0.8239 Intermediate Similarity NPC84721
0.8239 Intermediate Similarity NPC75310
0.8239 Intermediate Similarity NPC290927
0.8235 Intermediate Similarity NPC475996
0.8221 Intermediate Similarity NPC219861
0.8221 Intermediate Similarity NPC56358
0.8214 Intermediate Similarity NPC472665
0.821 Intermediate Similarity NPC472961
0.821 Intermediate Similarity NPC472962
0.8182 Intermediate Similarity NPC53640
0.8182 Intermediate Similarity NPC191012
0.8176 Intermediate Similarity NPC60211
0.8171 Intermediate Similarity NPC109180
0.817 Intermediate Similarity NPC52412
0.816 Intermediate Similarity NPC478134
0.816 Intermediate Similarity NPC24761
0.8155 Intermediate Similarity NPC277510
0.8148 Intermediate Similarity NPC476350
0.8148 Intermediate Similarity NPC476349
0.8141 Intermediate Similarity NPC471346
0.8141 Intermediate Similarity NPC281398
0.8133 Intermediate Similarity NPC476459
0.8129 Intermediate Similarity NPC477409
0.8121 Intermediate Similarity NPC136641
0.8121 Intermediate Similarity NPC270312
0.8118 Intermediate Similarity NPC5671
0.8113 Intermediate Similarity NPC475777
0.8113 Intermediate Similarity NPC472423
0.8113 Intermediate Similarity NPC474772
0.8113 Intermediate Similarity NPC175617
0.8113 Intermediate Similarity NPC474744
0.8113 Intermediate Similarity NPC115324
0.8113 Intermediate Similarity NPC156244
0.8113 Intermediate Similarity NPC121615
0.8113 Intermediate Similarity NPC294511
0.811 Intermediate Similarity NPC193998
0.8105 Intermediate Similarity NPC477537
0.8098 Intermediate Similarity NPC313368
0.8098 Intermediate Similarity NPC470810
0.8089 Intermediate Similarity NPC478018
0.8086 Intermediate Similarity NPC212967
0.8086 Intermediate Similarity NPC472823
0.8086 Intermediate Similarity NPC96342
0.8086 Intermediate Similarity NPC164110
0.8086 Intermediate Similarity NPC116639
0.8086 Intermediate Similarity NPC246647
0.8084 Intermediate Similarity NPC202470
0.8081 Intermediate Similarity NPC228209
0.8079 Intermediate Similarity NPC141934
0.8079 Intermediate Similarity NPC232996
0.8077 Intermediate Similarity NPC160777
0.8077 Intermediate Similarity NPC233763
0.8077 Intermediate Similarity NPC73416
0.8075 Intermediate Similarity NPC148938
0.8075 Intermediate Similarity NPC478159
0.8075 Intermediate Similarity NPC268008
0.8075 Intermediate Similarity NPC478161
0.8072 Intermediate Similarity NPC472895
0.8072 Intermediate Similarity NPC296558
0.807 Intermediate Similarity NPC104682
0.8063 Intermediate Similarity NPC207624
0.8063 Intermediate Similarity NPC67654
0.8063 Intermediate Similarity NPC471349
0.8063 Intermediate Similarity NPC471347
0.8063 Intermediate Similarity NPC171651
0.8063 Intermediate Similarity NPC263676
0.8063 Intermediate Similarity NPC35567
0.8063 Intermediate Similarity NPC243171
0.8063 Intermediate Similarity NPC285623
0.8061 Intermediate Similarity NPC263092
0.8061 Intermediate Similarity NPC1755
0.8061 Intermediate Similarity NPC59295
0.8061 Intermediate Similarity NPC1706
0.8061 Intermediate Similarity NPC39305
0.8061 Intermediate Similarity NPC476931
0.805 Intermediate Similarity NPC472421
0.805 Intermediate Similarity NPC144010
0.805 Intermediate Similarity NPC267117
0.8049 Intermediate Similarity NPC96031
0.8049 Intermediate Similarity NPC74854
0.8049 Intermediate Similarity NPC283209
0.8049 Intermediate Similarity NPC476929
0.8049 Intermediate Similarity NPC45124
0.8049 Intermediate Similarity NPC30655
0.8047 Intermediate Similarity NPC30550
0.8039 Intermediate Similarity NPC114620
0.8039 Intermediate Similarity NPC90296
0.8039 Intermediate Similarity NPC103337
0.8038 Intermediate Similarity NPC218569
0.8037 Intermediate Similarity NPC477410
0.8025 Intermediate Similarity NPC7059
0.8025 Intermediate Similarity NPC1940
0.8025 Intermediate Similarity NPC148011
0.8025 Intermediate Similarity NPC247677
0.8025 Intermediate Similarity NPC180924
0.8025 Intermediate Similarity NPC160015
0.8024 Intermediate Similarity NPC150131
0.8013 Intermediate Similarity NPC114513
0.8013 Intermediate Similarity NPC245522
0.8012 Intermediate Similarity NPC474000
0.8012 Intermediate Similarity NPC314653
0.8012 Intermediate Similarity NPC472049
0.8012 Intermediate Similarity NPC203080
0.8012 Intermediate Similarity NPC316262
0.8012 Intermediate Similarity NPC472785
0.8012 Intermediate Similarity NPC235333
0.8012 Intermediate Similarity NPC469966
0.8012 Intermediate Similarity NPC293286
0.8 Intermediate Similarity NPC272722
0.8 Intermediate Similarity NPC262038
0.8 Intermediate Similarity NPC243577
0.8 Intermediate Similarity NPC261184
0.8 Intermediate Similarity NPC473201
0.8 Intermediate Similarity NPC278476
0.8 Intermediate Similarity NPC58668
0.8 Intermediate Similarity NPC472664
0.8 Intermediate Similarity NPC106372
0.8 Intermediate Similarity NPC289244
0.8 Intermediate Similarity NPC319910
0.8 Intermediate Similarity NPC302783
0.8 Intermediate Similarity NPC238995
0.8 Intermediate Similarity NPC472580
0.8 Intermediate Similarity NPC64568
0.8 Intermediate Similarity NPC193976
0.8 Intermediate Similarity NPC262039
0.8 Intermediate Similarity NPC471229
0.8 Intermediate Similarity NPC23668
0.8 Intermediate Similarity NPC254412
0.7988 Intermediate Similarity NPC91650
0.7988 Intermediate Similarity NPC43490
0.7988 Intermediate Similarity NPC69028
0.7988 Intermediate Similarity NPC220582
0.7988 Intermediate Similarity NPC329938
0.7988 Intermediate Similarity NPC306978
0.7988 Intermediate Similarity NPC475107
0.7988 Intermediate Similarity NPC68848
0.7988 Intermediate Similarity NPC79571
0.7988 Intermediate Similarity NPC472584
0.7988 Intermediate Similarity NPC169
0.7988 Intermediate Similarity NPC304839
0.7988 Intermediate Similarity NPC263432
0.7988 Intermediate Similarity NPC118128
0.7987 Intermediate Similarity NPC228842
0.7987 Intermediate Similarity NPC296030
0.7987 Intermediate Similarity NPC277032
0.7987 Intermediate Similarity NPC205360
0.7987 Intermediate Similarity NPC478219
0.7987 Intermediate Similarity NPC477535
0.7987 Intermediate Similarity NPC39929
0.7977 Intermediate Similarity NPC8927

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471613 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
0.9097 High Similarity NPD1471 Phase 3
0.8212 Intermediate Similarity NPD2344 Approved
0.8129 Intermediate Similarity NPD8434 Phase 2
0.8025 Intermediate Similarity NPD3882 Suspended
0.8 Intermediate Similarity NPD2309 Approved
0.7987 Intermediate Similarity NPD3226 Approved
0.7935 Intermediate Similarity NPD4628 Phase 3
0.7901 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7866 Intermediate Similarity NPD7075 Discontinued
0.784 Intermediate Similarity NPD6801 Discontinued
0.7831 Intermediate Similarity NPD1247 Approved
0.7826 Intermediate Similarity NPD6599 Discontinued
0.7785 Intermediate Similarity NPD6799 Approved
0.7711 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD1549 Phase 2
0.7643 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7633 Intermediate Similarity NPD3926 Phase 2
0.7628 Intermediate Similarity NPD2346 Discontinued
0.7628 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD1934 Approved
0.7607 Intermediate Similarity NPD4380 Phase 2
0.7605 Intermediate Similarity NPD919 Approved
0.7602 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD7819 Suspended
0.7545 Intermediate Similarity NPD3749 Approved
0.7542 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD5403 Approved
0.753 Intermediate Similarity NPD5402 Approved
0.753 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD6559 Discontinued
0.7516 Intermediate Similarity NPD5401 Approved
0.7516 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1510 Phase 2
0.75 Intermediate Similarity NPD2799 Discontinued
0.75 Intermediate Similarity NPD3818 Discontinued
0.75 Intermediate Similarity NPD3751 Discontinued
0.7485 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD6166 Phase 2
0.7484 Intermediate Similarity NPD1607 Approved
0.747 Intermediate Similarity NPD5760 Phase 2
0.747 Intermediate Similarity NPD5761 Phase 2
0.7469 Intermediate Similarity NPD1512 Approved
0.7468 Intermediate Similarity NPD1240 Approved
0.7467 Intermediate Similarity NPD1470 Approved
0.7457 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7456 Intermediate Similarity NPD5494 Approved
0.7455 Intermediate Similarity NPD7411 Suspended
0.7452 Intermediate Similarity NPD2796 Approved
0.744 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD6765 Approved
0.7429 Intermediate Similarity NPD6764 Approved
0.7425 Intermediate Similarity NPD3817 Phase 2
0.7425 Intermediate Similarity NPD2296 Approved
0.7423 Intermediate Similarity NPD920 Approved
0.7419 Intermediate Similarity NPD6355 Discontinued
0.7368 Intermediate Similarity NPD6808 Phase 2
0.7365 Intermediate Similarity NPD2801 Approved
0.7346 Intermediate Similarity NPD1511 Approved
0.7338 Intermediate Similarity NPD2313 Discontinued
0.7329 Intermediate Similarity NPD9092 Discovery
0.7312 Intermediate Similarity NPD1243 Approved
0.7312 Intermediate Similarity NPD2800 Approved
0.731 Intermediate Similarity NPD6959 Discontinued
0.7305 Intermediate Similarity NPD6280 Approved
0.7305 Intermediate Similarity NPD6279 Approved
0.7301 Intermediate Similarity NPD2532 Approved
0.7301 Intermediate Similarity NPD2534 Approved
0.7301 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD2533 Approved
0.7299 Intermediate Similarity NPD2163 Approved
0.7296 Intermediate Similarity NPD5762 Approved
0.7296 Intermediate Similarity NPD5763 Approved
0.7285 Intermediate Similarity NPD1876 Approved
0.7284 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6797 Phase 2
0.7267 Intermediate Similarity NPD6232 Discontinued
0.7263 Intermediate Similarity NPD6785 Approved
0.7263 Intermediate Similarity NPD6784 Approved
0.7257 Intermediate Similarity NPD5844 Phase 1
0.7256 Intermediate Similarity NPD6273 Approved
0.725 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7247 Intermediate Similarity NPD8312 Approved
0.7247 Intermediate Similarity NPD8313 Approved
0.7244 Intermediate Similarity NPD4060 Phase 1
0.7241 Intermediate Similarity NPD7473 Discontinued
0.7233 Intermediate Similarity NPD1551 Phase 2
0.7232 Intermediate Similarity NPD7251 Discontinued
0.7226 Intermediate Similarity NPD6798 Discontinued
0.7222 Intermediate Similarity NPD2354 Approved
0.72 Intermediate Similarity NPD1201 Approved
0.7195 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD7808 Phase 3
0.7184 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD3787 Discontinued
0.7166 Intermediate Similarity NPD6779 Approved
0.7166 Intermediate Similarity NPD6777 Approved
0.7166 Intermediate Similarity NPD6776 Approved
0.7166 Intermediate Similarity NPD6782 Approved
0.7166 Intermediate Similarity NPD6778 Approved
0.7166 Intermediate Similarity NPD6781 Approved
0.7166 Intermediate Similarity NPD6780 Approved
0.716 Intermediate Similarity NPD3750 Approved
0.7152 Intermediate Similarity NPD1608 Approved
0.7152 Intermediate Similarity NPD3972 Approved
0.7143 Intermediate Similarity NPD7435 Discontinued
0.7126 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD2935 Discontinued
0.7124 Intermediate Similarity NPD1203 Approved
0.7119 Intermediate Similarity NPD7074 Phase 3
0.7117 Intermediate Similarity NPD3887 Approved
0.7115 Intermediate Similarity NPD3764 Approved
0.7091 Intermediate Similarity NPD4662 Approved
0.7091 Intermediate Similarity NPD4661 Approved
0.7089 Intermediate Similarity NPD447 Suspended
0.7078 Intermediate Similarity NPD2798 Approved
0.7076 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD7033 Discontinued
0.7062 Intermediate Similarity NPD7054 Approved
0.7055 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD9717 Approved
0.7033 Intermediate Similarity NPD8150 Discontinued
0.7032 Intermediate Similarity NPD9494 Approved
0.7025 Intermediate Similarity NPD943 Approved
0.7024 Intermediate Similarity NPD2651 Approved
0.7024 Intermediate Similarity NPD7458 Discontinued
0.7024 Intermediate Similarity NPD2649 Approved
0.7022 Intermediate Similarity NPD7472 Approved
0.7006 Intermediate Similarity NPD3268 Approved
0.6988 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6987 Remote Similarity NPD6832 Phase 2
0.6983 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6977 Remote Similarity NPD7768 Phase 2
0.6975 Remote Similarity NPD2353 Approved
0.6975 Remote Similarity NPD2355 Clinical (unspecified phase)
0.697 Remote Similarity NPD8404 Phase 2
0.6968 Remote Similarity NPD5647 Approved
0.6963 Remote Similarity NPD7697 Approved
0.6963 Remote Similarity NPD7696 Phase 3
0.6963 Remote Similarity NPD7698 Approved
0.6962 Remote Similarity NPD6233 Phase 2
0.6962 Remote Similarity NPD4062 Phase 3
0.6959 Remote Similarity NPD1465 Phase 2
0.6957 Remote Similarity NPD651 Clinical (unspecified phase)
0.6957 Remote Similarity NPD3748 Approved
0.6954 Remote Similarity NPD17 Approved
0.6948 Remote Similarity NPD1283 Approved
0.6946 Remote Similarity NPD5049 Phase 3
0.6939 Remote Similarity NPD1241 Discontinued
0.6932 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6928 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7870 Phase 2
0.6927 Remote Similarity NPD7871 Phase 2
0.6923 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7874 Approved
0.6913 Remote Similarity NPD405 Clinical (unspecified phase)
0.6907 Remote Similarity NPD7701 Phase 2
0.6906 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6901 Remote Similarity NPD37 Approved
0.6901 Remote Similarity NPD6844 Discontinued
0.6899 Remote Similarity NPD411 Approved
0.6898 Remote Similarity NPD6534 Approved
0.6898 Remote Similarity NPD6535 Approved
0.6895 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6893 Remote Similarity NPD2403 Approved
0.6889 Remote Similarity NPD5953 Discontinued
0.6887 Remote Similarity NPD1651 Approved
0.6879 Remote Similarity NPD4965 Approved
0.6879 Remote Similarity NPD4967 Phase 2
0.6879 Remote Similarity NPD4966 Approved
0.6875 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6852 Remote Similarity NPD4308 Phase 3
0.6848 Remote Similarity NPD7003 Approved
0.6835 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6835 Remote Similarity NPD7095 Approved
0.6829 Remote Similarity NPD4534 Discontinued
0.6829 Remote Similarity NPD2424 Discontinued
0.6829 Remote Similarity NPD5958 Discontinued
0.6825 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6823 Remote Similarity NPD3057 Approved
0.6821 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6821 Remote Similarity NPD9545 Approved
0.6818 Remote Similarity NPD7199 Phase 2
0.6818 Remote Similarity NPD8127 Discontinued
0.6816 Remote Similarity NPD7177 Discontinued
0.6807 Remote Similarity NPD6190 Approved
0.6802 Remote Similarity NPD7801 Approved
0.68 Remote Similarity NPD6234 Discontinued
0.6795 Remote Similarity NPD3267 Approved
0.6795 Remote Similarity NPD3266 Approved
0.6792 Remote Similarity NPD1699 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   150068
ChEMBL   CHEMBL294323
ZINC  

Physicochemical Properties

Molecular Weight:  242.06
ALogP:  -1.1411
MLogP:  2.56
XLogP:  2.087
# Rotatable Bonds:  3
Polar Surface Area:  67.51
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  18

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Similar NPs/Drugs