Natural Product: NPC476509

Natural Product ID:  NPC476509
Common Name:   Acrofolione A
IUPAC Name:   1-[7-[1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
Synonyms:   Acrofolione A
Molecular Formula:   C32H42O9
Standard InCHIKey:  OUNVYFMBWBYCMV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C32H42O9/c1-14(2)10-11-18-26(35)24(29(38)23(17(6)34)30(18)40-9)19(12-15(3)4)25-28(37)22(16(5)33)27(36)20-13-21(32(7,8)39)41-31(20)25/h10,15,19,21,35-39H,11-13H2,1-9H3
Canonical SMILES:  COc1c(CC=C(C)C)c(O)c(c(c1C(=O)C)O)C(c1c2OC(Cc2c(c(c1O)C(=O)C)O)C(O)(C)C)CC(C)C
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
NPO12980 Acronychia pedunculata Species Rutaceae Eukaryota PMID[22708987]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT367 Cell Line MDA-N Homo sapiens GI50 4285.49 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 3837.07 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 4305.27 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 3749.73 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 4159.11 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 1972.42 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 1845.02 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 4709.77 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 4931.74 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 3411.93 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 3810.66 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 2133.04 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 3828.25 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 5420.01 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 3404.08 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 3819.44 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 4120.98 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 5382.7 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 7328.25 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 2818.38 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 6251.73 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 3388.44 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 5559.04 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 5675.45 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 4375.22 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 3265.88 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 4456.56 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 7961.59 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 3681.29 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 3863.67 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 4508.17 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 5333.35 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 4255.98 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 3206.27 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 4130.48 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 5260.17 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 3589.22 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 4864.07 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 3647.54 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 4886.52 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 7744.62 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 3198.9 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 5357.97 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 4709.77 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 5688.53 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 9183.33 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 4456.56 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 2877.4 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens IC50 > 5000 nM 22708987
NPT1383 Cell Line A2058 Homo sapiens IC50 = 4200 nM 22708987
NPT3190 Cell Line NHDF Homo sapiens IC50 > 5000 nM 22708987

  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 NPC476509 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
0.9441 High Similarity NPC74397
0.9324 High Similarity NPC472421
0.9324 High Similarity NPC321387
0.9324 High Similarity NPC327059
0.931 High Similarity NPC18886
0.9306 High Similarity NPC476508
0.9262 High Similarity NPC472636
0.9262 High Similarity NPC474744
0.9262 High Similarity NPC472423
0.9262 High Similarity NPC471675
0.9262 High Similarity NPC474772
0.9241 High Similarity NPC276565
0.92 High Similarity NPC477957
0.92 High Similarity NPC327269
0.92 High Similarity NPC473996
0.92 High Similarity NPC31627
0.92 High Similarity NPC476238
0.9195 High Similarity NPC470908
0.9178 High Similarity NPC112749
0.9161 High Similarity NPC255801
0.9161 High Similarity NPC322301
0.9156 High Similarity NPC92589
0.9145 High Similarity NPC321372
0.9145 High Similarity NPC474386
0.9145 High Similarity NPC474738
0.9145 High Similarity NPC475797
0.9145 High Similarity NPC215917
0.9145 High Similarity NPC10754
0.9145 High Similarity NPC78554
0.9145 High Similarity NPC469936
0.9145 High Similarity NPC474609
0.9145 High Similarity NPC20530
0.9145 High Similarity NPC109967
0.9145 High Similarity NPC129053
0.9133 High Similarity NPC472580
0.9133 High Similarity NPC471677
0.9122 High Similarity NPC47388
0.9122 High Similarity NPC473133
0.9122 High Similarity NPC91902
0.9122 High Similarity NPC202494
0.9122 High Similarity NPC470670
0.9122 High Similarity NPC14875
0.9079 High Similarity NPC279218
0.9079 High Similarity NPC469934
0.9079 High Similarity NPC108937
0.9073 High Similarity NPC285623
0.9032 High Similarity NPC472346
0.9013 High Similarity NPC209760
0.9013 High Similarity NPC100134
0.9007 High Similarity NPC472422
0.9007 High Similarity NPC263384
0.9007 High Similarity NPC244577
0.9007 High Similarity NPC474023
0.9007 High Similarity NPC472420
0.9007 High Similarity NPC474021
0.9007 High Similarity NPC471676
0.9 High Similarity NPC307052
0.9 High Similarity NPC139966
0.9 High Similarity NPC472628
0.8986 High Similarity NPC297788
0.898 High Similarity NPC472344
0.898 High Similarity NPC130206
0.8968 High Similarity NPC470810
0.8954 High Similarity NPC477958
0.8954 High Similarity NPC470681
0.8947 High Similarity NPC150123
0.8947 High Similarity NPC475790
0.8947 High Similarity NPC138288
0.8947 High Similarity NPC10807
0.8947 High Similarity NPC216035
0.8947 High Similarity NPC56232
0.8947 High Similarity NPC244583
0.8947 High Similarity NPC161881
0.8947 High Similarity NPC210597
0.8947 High Similarity NPC217149
0.894 High Similarity NPC321896
0.894 High Similarity NPC476185
0.894 High Similarity NPC105136
0.8933 High Similarity NPC10097
0.8933 High Similarity NPC168085
0.8933 High Similarity NPC145467
0.8933 High Similarity NPC472345
0.8926 High Similarity NPC127059
0.8926 High Similarity NPC470910
0.8926 High Similarity NPC316769
0.8926 High Similarity NPC285630
0.8919 High Similarity NPC307895
0.8919 High Similarity NPC470553
0.8917 High Similarity NPC471286
0.8917 High Similarity NPC473009
0.8912 High Similarity NPC171870
0.8904 High Similarity NPC240305
0.8889 High Similarity NPC223701
0.8889 High Similarity NPC248793
0.8889 High Similarity NPC180301
0.8889 High Similarity NPC472583
0.8889 High Similarity NPC293286
0.8889 High Similarity NPC7989
0.8889 High Similarity NPC469405
0.8882 High Similarity NPC209846
0.8882 High Similarity NPC254412
0.8882 High Similarity NPC328740
0.8882 High Similarity NPC476162
0.8882 High Similarity NPC319910
0.8882 High Similarity NPC278476
0.8882 High Similarity NPC290671
0.8882 High Similarity NPC477897
0.8882 High Similarity NPC262038
0.8882 High Similarity NPC262039
0.8882 High Similarity NPC289774
0.8882 High Similarity NPC178484
0.8881 High Similarity NPC16197
0.8874 High Similarity NPC473016
0.8874 High Similarity NPC89442
0.8874 High Similarity NPC317492
0.8867 High Similarity NPC308200
0.8867 High Similarity NPC472627
0.8867 High Similarity NPC85773
0.8861 High Similarity NPC473010
0.8861 High Similarity NPC473908
0.8859 High Similarity NPC271288
0.8859 High Similarity NPC288910
0.8859 High Similarity NPC235217
0.8859 High Similarity NPC470890
0.8859 High Similarity NPC131568
0.8859 High Similarity NPC470554
0.8859 High Similarity NPC473014
0.8859 High Similarity NPC118059
0.8859 High Similarity NPC224714
0.8859 High Similarity NPC133060
0.8859 High Similarity NPC131579
0.8854 High Similarity NPC93215
0.8854 High Similarity NPC473012
0.8854 High Similarity NPC472635
0.8851 High Similarity NPC112829
0.8851 High Similarity NPC470556
0.8846 High Similarity NPC472624
0.8846 High Similarity NPC304839
0.8846 High Similarity NPC220582
0.8846 High Similarity NPC328102
0.8846 High Similarity NPC472631
0.8846 High Similarity NPC472630
0.8844 High Similarity NPC477272
0.8839 High Similarity NPC161650
0.8836 High Similarity NPC254168
0.8836 High Similarity NPC248995
0.8836 High Similarity NPC272844
0.8831 High Similarity NPC304207
0.8831 High Similarity NPC207809
0.8831 High Similarity NPC217706
0.8831 High Similarity NPC259710
0.8831 High Similarity NPC111341
0.8831 High Similarity NPC48579
0.8831 High Similarity NPC476169
0.8831 High Similarity NPC304745
0.8831 High Similarity NPC471116
0.8824 High Similarity NPC171651
0.8824 High Similarity NPC243171
0.8824 High Similarity NPC35567
0.882 High Similarity NPC477529
0.8816 High Similarity NPC471115
0.8816 High Similarity NPC29777
0.8812 High Similarity NPC102810
0.8811 High Similarity NPC215875
0.8811 High Similarity NPC15834
0.8808 High Similarity NPC39195
0.8805 High Similarity NPC53640
0.88 High Similarity NPC474302
0.88 High Similarity NPC477955
0.88 High Similarity NPC290133
0.88 High Similarity NPC472629
0.88 High Similarity NPC187282
0.88 High Similarity NPC24136
0.8797 High Similarity NPC91288
0.8792 High Similarity NPC96216
0.8792 High Similarity NPC223812
0.8792 High Similarity NPC214166
0.8792 High Similarity NPC77794
0.8792 High Similarity NPC125894
0.8792 High Similarity NPC474939
0.8792 High Similarity NPC81697
0.8792 High Similarity NPC316816
0.8792 High Similarity NPC470909
0.8792 High Similarity NPC184738
0.8792 High Similarity NPC85162
0.8792 High Similarity NPC478086
0.8792 High Similarity NPC278249
0.8792 High Similarity NPC185276
0.8792 High Similarity NPC107177
0.8792 High Similarity NPC33653
0.879 High Similarity NPC45124
0.879 High Similarity NPC471211
0.879 High Similarity NPC312273
0.879 High Similarity NPC301256
0.879 High Similarity NPC471212
0.879 High Similarity NPC472634
0.879 High Similarity NPC30655
0.879 High Similarity NPC74854
0.8784 High Similarity NPC248372
0.8784 High Similarity NPC285659

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476509 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
0.8831 High Similarity NPD8443 Clinical (unspecified phase)
0.8718 High Similarity NPD7075 Discontinued
0.8693 High Similarity NPD4380 Phase 2
0.8649 High Similarity NPD2800 Approved
0.8645 High Similarity NPD2393 Clinical (unspecified phase)
0.8609 High Similarity NPD4378 Clinical (unspecified phase)
0.8526 High Similarity NPD7096 Clinical (unspecified phase)
0.8487 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8466 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD1934 Approved
0.8408 Intermediate Similarity NPD7819 Suspended
0.8389 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8389 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8367 Intermediate Similarity NPD6651 Approved
0.8366 Intermediate Similarity NPD2533 Approved
0.8366 Intermediate Similarity NPD2532 Approved
0.8366 Intermediate Similarity NPD2534 Approved
0.8365 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8344 Intermediate Similarity NPD6801 Discontinued
0.8333 Intermediate Similarity NPD1549 Phase 2
0.8302 Intermediate Similarity NPD3882 Suspended
0.8261 Intermediate Similarity NPD5494 Approved
0.821 Intermediate Similarity NPD6959 Discontinued
0.82 Intermediate Similarity NPD2796 Approved
0.8182 Intermediate Similarity NPD6799 Approved
0.8182 Intermediate Similarity NPD3818 Discontinued
0.8176 Intermediate Similarity NPD2801 Approved
0.8171 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8171 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8171 Intermediate Similarity NPD6166 Phase 2
0.8165 Intermediate Similarity NPD7411 Suspended
0.8133 Intermediate Similarity NPD1510 Phase 2
0.8108 Intermediate Similarity NPD1240 Approved
0.8101 Intermediate Similarity NPD6599 Discontinued
0.8095 Intermediate Similarity NPD6559 Discontinued
0.8084 Intermediate Similarity NPD7074 Phase 3
0.8075 Intermediate Similarity NPD7768 Phase 2
0.8065 Intermediate Similarity NPD1511 Approved
0.8061 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8024 Intermediate Similarity NPD7054 Approved
0.8012 Intermediate Similarity NPD3817 Phase 2
0.8012 Intermediate Similarity NPD7473 Discontinued
0.8 Intermediate Similarity NPD1607 Approved
0.7976 Intermediate Similarity NPD7472 Approved
0.7963 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7962 Intermediate Similarity NPD1512 Approved
0.7941 Intermediate Similarity NPD7808 Phase 3
0.7882 Intermediate Similarity NPD7251 Discontinued
0.7857 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD6232 Discontinued
0.7824 Intermediate Similarity NPD6797 Phase 2
0.7806 Intermediate Similarity NPD1243 Approved
0.7805 Intermediate Similarity NPD3749 Approved
0.7799 Intermediate Similarity NPD920 Approved
0.7799 Intermediate Similarity NPD5403 Approved
0.7756 Intermediate Similarity NPD4628 Phase 3
0.7733 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD5710 Approved
0.7725 Intermediate Similarity NPD5711 Approved
0.7692 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD5402 Approved
0.7677 Intermediate Similarity NPD2344 Approved
0.7673 Intermediate Similarity NPD5401 Approved
0.7673 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7662 Intermediate Similarity NPD2799 Discontinued
0.7658 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD8434 Phase 2
0.7643 Intermediate Similarity NPD3750 Approved
0.763 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD5953 Discontinued
0.7613 Intermediate Similarity NPD6100 Approved
0.7613 Intermediate Similarity NPD6099 Approved
0.7613 Intermediate Similarity NPD2935 Discontinued
0.7613 Intermediate Similarity NPD1551 Phase 2
0.7602 Intermediate Similarity NPD7286 Phase 2
0.7602 Intermediate Similarity NPD5844 Phase 1
0.7584 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD3926 Phase 2
0.756 Intermediate Similarity NPD1247 Approved
0.7545 Intermediate Similarity NPD919 Approved
0.7514 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD8312 Approved
0.7486 Intermediate Similarity NPD8313 Approved
0.7484 Intermediate Similarity NPD2309 Approved
0.7468 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD6355 Discontinued
0.7468 Intermediate Similarity NPD5124 Phase 1
0.744 Intermediate Similarity NPD6234 Discontinued
0.7427 Intermediate Similarity NPD2403 Approved
0.7421 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD1465 Phase 2
0.7403 Intermediate Similarity NPD4363 Phase 3
0.7403 Intermediate Similarity NPD4360 Phase 2
0.7401 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD7390 Discontinued
0.7386 Intermediate Similarity NPD2313 Discontinued
0.7378 Intermediate Similarity NPD3226 Approved
0.7368 Intermediate Similarity NPD6832 Phase 2
0.7368 Intermediate Similarity NPD4908 Phase 1
0.7363 Intermediate Similarity NPD4361 Phase 2
0.7363 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD7199 Phase 2
0.7349 Intermediate Similarity NPD37 Approved
0.7342 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD7584 Approved
0.7325 Intermediate Similarity NPD3748 Approved
0.7325 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD7033 Discontinued
0.7321 Intermediate Similarity NPD4966 Approved
0.7321 Intermediate Similarity NPD4965 Approved
0.7321 Intermediate Similarity NPD4967 Phase 2
0.7312 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD7229 Phase 3
0.7305 Intermediate Similarity NPD8455 Phase 2
0.7296 Intermediate Similarity NPD2424 Discontinued
0.729 Intermediate Similarity NPD943 Approved
0.7289 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7458 Discontinued
0.7267 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD8150 Discontinued
0.7256 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD2654 Approved
0.7248 Intermediate Similarity NPD1610 Phase 2
0.7241 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD7228 Approved
0.7233 Intermediate Similarity NPD2346 Discontinued
0.7233 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD6004 Phase 3
0.7233 Intermediate Similarity NPD6005 Phase 3
0.7233 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD6002 Phase 3
0.7204 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD5760 Phase 2
0.7202 Intermediate Similarity NPD5761 Phase 2
0.7179 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD1613 Approved
0.7173 Intermediate Similarity NPD8151 Discontinued
0.7171 Intermediate Similarity NPD1203 Approved
0.7161 Intermediate Similarity NPD3268 Approved
0.7161 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD1729 Discontinued
0.7143 Intermediate Similarity NPD3751 Discontinued
0.7134 Intermediate Similarity NPD230 Phase 1
0.7134 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD2798 Approved
0.7112 Intermediate Similarity NPD6781 Approved
0.7112 Intermediate Similarity NPD6778 Approved
0.7112 Intermediate Similarity NPD6782 Approved
0.7112 Intermediate Similarity NPD6780 Approved
0.7112 Intermediate Similarity NPD6779 Approved
0.7112 Intermediate Similarity NPD6777 Approved
0.7112 Intermediate Similarity NPD6776 Approved
0.711 Intermediate Similarity NPD3787 Discontinued
0.7098 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD7783 Phase 2
0.7097 Intermediate Similarity NPD3027 Phase 3
0.709 Intermediate Similarity NPD7435 Discontinued
0.709 Intermediate Similarity NPD7697 Approved
0.709 Intermediate Similarity NPD7696 Phase 3
0.709 Intermediate Similarity NPD7698 Approved
0.7079 Intermediate Similarity NPD7685 Pre-registration
0.7078 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD4060 Phase 1
0.7059 Intermediate Similarity NPD2797 Approved
0.7053 Intermediate Similarity NPD7871 Phase 2
0.7053 Intermediate Similarity NPD7870 Phase 2
0.7051 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD6798 Discontinued
0.7035 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD7701 Phase 2
0.703 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD7801 Approved
0.7005 Intermediate Similarity NPD7699 Phase 2
0.7005 Intermediate Similarity NPD7700 Phase 2
0.6995 Remote Similarity NPD4287 Approved
0.699 Remote Similarity NPD7930 Approved
0.6988 Remote Similarity NPD5049 Phase 3
0.6987 Remote Similarity NPD4625 Phase 3
0.698 Remote Similarity NPD1548 Phase 1
0.6974 Remote Similarity NPD9717 Approved
0.6974 Remote Similarity NPD1608 Approved
0.697 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6968 Remote Similarity NPD2861 Phase 2
0.6964 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6959 Remote Similarity NPD2296 Approved
0.6959 Remote Similarity NPD7874 Approved
0.6959 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6947 Remote Similarity NPD6823 Phase 2
0.6943 Remote Similarity NPD3764 Approved
0.6943 Remote Similarity NPD7585 Approved
0.6935 Remote Similarity NPD6535 Approved
0.6935 Remote Similarity NPD6534 Approved
0.6932 Remote Similarity NPD4575 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   402434
ChEMBL   CHEMBL1992376
ZINC  

Physicochemical Properties

Molecular Weight:  570.28
ALogP:  -0.0273
MLogP:  3.99
XLogP:  4.335
# Rotatable Bonds:  24
Polar Surface Area:  153.75
# H-Bond Aceptor:  3
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  41

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