Natural Product: NPC66404

Natural Product ID:  NPC66404
Common Name:   2-Hydroxy-4-(2-Hydroxy-4-Methoxy-6-Propylbenzoyl)Oxy-6-Propylbenzoic Acid
IUPAC Name:   2-hydroxy-4-(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy-6-propylbenzoic acid
Synonyms:  
Molecular Formula:   C21H24O7
Standard InCHIKey:  FSRDIJIAQPSMMR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C21H24O7/c1-4-6-12-9-15(11-16(22)18(12)20(24)25)28-21(26)19-13(7-5-2)8-14(27-3)10-17(19)23/h8-11,22-23H,4-7H2,1-3H3,(H,24,25)
Canonical SMILES:  CCCc1cc(OC)cc(c1C(=O)Oc1cc(O)c(c(c1)CCC)C(=O)O)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
NPO17423 Solanum coccineum Species Solanaceae Eukaryota UNPD*
NPO2258 Johnius belangerii Species Sciaenidae Eukaryota UNPD*
NPO25908 Cladonia mitis Species Cladoniaceae Eukaryota UNPD*
NPO27586 Vernonia echioides Species Asteraceae Eukaryota UNPD*
NPO13015 Pilosella officinarum Species Asteraceae Eukaryota UNPD*
NPO26438 Glycosmis macrantha Species Rutaceae Eukaryota UNPD*
NPO27359 Cucumis prophetarum Species Cucurbitaceae Eukaryota UNPD*
NPO8083 Medicago falcata Species Fabaceae Eukaryota UNPD*
NPO17055 Cyclanthera pedata Species Cucurbitaceae Eukaryota UNPD*
NPO26733 Hispidella hispanica Species Asteraceae Eukaryota UNPD*
NPO27055 Scabiosa tschiliensis Species Caprifoliaceae Eukaryota UNPD*
NPO25703 Heliophila longifolia Species Brassicaceae Eukaryota UNPD*
NPO18807 Coffea pseudozanguebariae Species Rubiaceae Eukaryota UNPD*
NPO7916 Vanilla planifolia Species Orchidaceae Eukaryota UNPD*
NPO20304 Astragalus pectinatus Species Fabaceae Eukaryota UNPD*
NPO12230 Nemuaron vieillardii Species Atherospermataceae Eukaryota UNPD*
NPO20689 Roystonea regia Species Arecaceae Eukaryota UNPD*
NPO27065 Rottlera tinctoria NA NA NA UNPD*
NPO19943 Fleischmannia hymenophylla Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT369 Cell Line ACHN Homo sapiens GI50 27861.21 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 17988.71 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 13520.73 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 13001.7 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 23014.42 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 18030.18 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 17538.81 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 32508.73 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 28906.8 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 20558.91 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 29512.09 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 16595.87 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 23933.16 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 37497.3 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 34994.52 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 25118.86 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 32062.69 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 48528.85 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 37931.5 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 42756.29 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 28248.8 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 16032.45 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 28444.61 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 25882.13 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 21281.39 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 24154.61 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 23823.19 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 37411.06 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 20464.45 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 25234.81 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 30199.52 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 27542.29 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 17418.07 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 26181.83 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 22387.21 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 24099.05 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 19588.45 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 23878.11 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 35727.28 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 47863.01 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 35974.93 nM PubChem BioAssay data set
NPT577 Cell Line RXF 631 Homo sapiens GI50 26302.68 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 25003.45 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 18836.49 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 36475.39 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 32809.53 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 32960.97 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 16595.87 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 28183.83 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 26363.31 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 NPC66404 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC95123
0.9928 High Similarity NPC134621
0.9856 High Similarity NPC237208
0.9854 High Similarity NPC105648
0.9784 High Similarity NPC29577
0.9781 High Similarity NPC220106
0.9648 High Similarity NPC233267
0.9648 High Similarity NPC291049
0.9645 High Similarity NPC12305
0.958 High Similarity NPC60413
0.9577 High Similarity NPC105415
0.9574 High Similarity NPC267509
0.9568 High Similarity NPC250755
0.9514 High Similarity NPC133856
0.951 High Similarity NPC6923
0.9504 High Similarity NPC312789
0.9504 High Similarity NPC32470
0.9448 High Similarity NPC273483
0.9444 High Similarity NPC307780
0.9444 High Similarity NPC309979
0.9362 High Similarity NPC310340
0.9357 High Similarity NPC1704
0.9357 High Similarity NPC67650
0.9348 High Similarity NPC135837
0.9343 High Similarity NPC182496
0.9343 High Similarity NPC180905
0.932 High Similarity NPC149618
0.932 High Similarity NPC89625
0.931 High Similarity NPC295036
0.9306 High Similarity NPC240622
0.9306 High Similarity NPC240253
0.9306 High Similarity NPC471642
0.9306 High Similarity NPC471641
0.9301 High Similarity NPC225173
0.9301 High Similarity NPC163846
0.9291 High Similarity NPC474385
0.9257 High Similarity NPC146211
0.9257 High Similarity NPC54928
0.9247 High Similarity NPC227166
0.9241 High Similarity NPC476684
0.9236 High Similarity NPC259632
0.9236 High Similarity NPC125801
0.9225 High Similarity NPC469542
0.9225 High Similarity NPC472006
0.9225 High Similarity NPC51106
0.922 High Similarity NPC475730
0.922 High Similarity NPC275734
0.9189 High Similarity NPC471800
0.9184 High Similarity NPC217447
0.9178 High Similarity NPC194379
0.9178 High Similarity NPC470107
0.9172 High Similarity NPC172329
0.9172 High Similarity NPC2569
0.9172 High Similarity NPC37139
0.9167 High Similarity NPC473927
0.9161 High Similarity NPC210425
0.9161 High Similarity NPC280404
0.9161 High Similarity NPC86373
0.9161 High Similarity NPC277426
0.9155 High Similarity NPC49108
0.9155 High Similarity NPC469579
0.9137 High Similarity NPC242712
0.9133 High Similarity NPC238381
0.913 High Similarity NPC175943
0.911 High Similarity NPC288036
0.911 High Similarity NPC97029
0.911 High Similarity NPC97028
0.911 High Similarity NPC158338
0.911 High Similarity NPC65589
0.911 High Similarity NPC100985
0.9097 High Similarity NPC472034
0.9085 High Similarity NPC90411
0.9085 High Similarity NPC158634
0.9078 High Similarity NPC57380
0.9078 High Similarity NPC32360
0.9073 High Similarity NPC143050
0.9071 High Similarity NPC70380
0.9071 High Similarity NPC472364
0.9071 High Similarity NPC473391
0.9071 High Similarity NPC476333
0.9071 High Similarity NPC472367
0.906 High Similarity NPC20541
0.9058 High Similarity NPC153783
0.9051 High Similarity NPC189823
0.9051 High Similarity NPC219892
0.9048 High Similarity NPC150928
0.9048 High Similarity NPC158866
0.9041 High Similarity NPC27221
0.9041 High Similarity NPC256672
0.9041 High Similarity NPC7025
0.9034 High Similarity NPC472033
0.9034 High Similarity NPC154217
0.9034 High Similarity NPC138978
0.9034 High Similarity NPC470322
0.9034 High Similarity NPC107625
0.9021 High Similarity NPC471644
0.9021 High Similarity NPC96692
0.9021 High Similarity NPC471640
0.9014 High Similarity NPC165172
0.9007 High Similarity NPC212693
0.9007 High Similarity NPC478200
0.9007 High Similarity NPC33144
0.9007 High Similarity NPC94248
0.9007 High Similarity NPC472602
0.9007 High Similarity NPC188879
0.9007 High Similarity NPC191835
0.9 High Similarity NPC235115
0.8993 High Similarity NPC472799
0.8986 High Similarity NPC232645
0.8986 High Similarity NPC149526
0.8986 High Similarity NPC474417
0.8986 High Similarity NPC478148
0.8986 High Similarity NPC58668
0.8986 High Similarity NPC72958
0.8986 High Similarity NPC106372
0.898 High Similarity NPC10027
0.898 High Similarity NPC473978
0.898 High Similarity NPC65775
0.8973 High Similarity NPC22005
0.8973 High Similarity NPC472036
0.8973 High Similarity NPC142863
0.8973 High Similarity NPC7943
0.8973 High Similarity NPC123202
0.8973 High Similarity NPC210320
0.8966 High Similarity NPC196137
0.8966 High Similarity NPC131766
0.8966 High Similarity NPC1886
0.8958 High Similarity NPC471643
0.8958 High Similarity NPC84266
0.8958 High Similarity NPC73028
0.8958 High Similarity NPC36181
0.8958 High Similarity NPC471639
0.8951 High Similarity NPC53649
0.8947 High Similarity NPC200594
0.8944 High Similarity NPC268052
0.8944 High Similarity NPC472368
0.8944 High Similarity NPC124269
0.8936 High Similarity NPC473887
0.8936 High Similarity NPC47815
0.8936 High Similarity NPC127447
0.8936 High Similarity NPC13408
0.8936 High Similarity NPC231772
0.8936 High Similarity NPC234133
0.8936 High Similarity NPC29353
0.8936 High Similarity NPC194281
0.8936 High Similarity NPC194579
0.8936 High Similarity NPC124784
0.8936 High Similarity NPC240593
0.8926 High Similarity NPC474843
0.8926 High Similarity NPC154683
0.8926 High Similarity NPC289968
0.8926 High Similarity NPC40356
0.8926 High Similarity NPC175978
0.8926 High Similarity NPC87708
0.8926 High Similarity NPC207624
0.8921 High Similarity NPC10971
0.8921 High Similarity NPC203817
0.8919 High Similarity NPC474660
0.8919 High Similarity NPC325983
0.8919 High Similarity NPC227122
0.8919 High Similarity NPC475460
0.8919 High Similarity NPC119929
0.8912 High Similarity NPC73411
0.8912 High Similarity NPC215711
0.8912 High Similarity NPC106328
0.8912 High Similarity NPC35150
0.8904 High Similarity NPC130176
0.8904 High Similarity NPC196114
0.8904 High Similarity NPC290133
0.8904 High Similarity NPC24136
0.8904 High Similarity NPC153758
0.8904 High Similarity NPC187282
0.8904 High Similarity NPC181388
0.8904 High Similarity NPC99454
0.8897 High Similarity NPC470216
0.8897 High Similarity NPC94794
0.8897 High Similarity NPC112791
0.8897 High Similarity NPC196459
0.8897 High Similarity NPC188632
0.8897 High Similarity NPC470296
0.8897 High Similarity NPC87609
0.8897 High Similarity NPC470932
0.8896 High Similarity NPC300984
0.8896 High Similarity NPC474350
0.8896 High Similarity NPC156082
0.8889 High Similarity NPC303565
0.8889 High Similarity NPC94076
0.8889 High Similarity NPC182255
0.8882 High Similarity NPC474373
0.8881 High Similarity NPC472601
0.8881 High Similarity NPC140890
0.8881 High Similarity NPC472600
0.8881 High Similarity NPC254994
0.8881 High Similarity NPC230902
0.8881 High Similarity NPC472366
0.8881 High Similarity NPC155205
0.8881 High Similarity NPC158472
0.8874 High Similarity NPC4547
0.8873 High Similarity NPC266597
0.8873 High Similarity NPC250266

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC66404 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
0.9353 High Similarity NPD970 Clinical (unspecified phase)
0.8993 High Similarity NPD7819 Suspended
0.8707 High Similarity NPD2533 Approved
0.8707 High Similarity NPD2534 Approved
0.8707 High Similarity NPD4378 Clinical (unspecified phase)
0.8707 High Similarity NPD2532 Approved
0.869 High Similarity NPD3750 Approved
0.8639 High Similarity NPD6799 Approved
0.8611 High Similarity NPD1552 Clinical (unspecified phase)
0.8611 High Similarity NPD1550 Clinical (unspecified phase)
0.8582 High Similarity NPD1240 Approved
0.8571 High Similarity NPD3749 Approved
0.8571 High Similarity NPD6859 Clinical (unspecified phase)
0.8552 High Similarity NPD1549 Phase 2
0.8542 High Similarity NPD1551 Phase 2
0.8514 High Similarity NPD1511 Approved
0.8497 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8497 Intermediate Similarity NPD2801 Approved
0.8487 Intermediate Similarity NPD7411 Suspended
0.8472 Intermediate Similarity NPD1510 Phase 2
0.8471 Intermediate Similarity NPD6232 Discontinued
0.8462 Intermediate Similarity NPD1607 Approved
0.8452 Intermediate Similarity NPD7075 Discontinued
0.8442 Intermediate Similarity NPD3817 Phase 2
0.8431 Intermediate Similarity NPD1934 Approved
0.8421 Intermediate Similarity NPD6599 Discontinued
0.8414 Intermediate Similarity NPD2796 Approved
0.8414 Intermediate Similarity NPD2935 Discontinued
0.8408 Intermediate Similarity NPD6959 Discontinued
0.84 Intermediate Similarity NPD1512 Approved
0.8387 Intermediate Similarity NPD7768 Phase 2
0.8387 Intermediate Similarity NPD3882 Suspended
0.8377 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8345 Intermediate Similarity NPD3748 Approved
0.8345 Intermediate Similarity NPD1203 Approved
0.8333 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8323 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8313 Intermediate Similarity NPD7473 Discontinued
0.8269 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8258 Intermediate Similarity NPD1465 Phase 2
0.825 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8243 Intermediate Similarity NPD1243 Approved
0.8235 Intermediate Similarity NPD3226 Approved
0.821 Intermediate Similarity NPD5844 Phase 1
0.8194 Intermediate Similarity NPD6801 Discontinued
0.8169 Intermediate Similarity NPD6832 Phase 2
0.8129 Intermediate Similarity NPD9717 Approved
0.8121 Intermediate Similarity NPD2800 Approved
0.8121 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD2799 Discontinued
0.8067 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.8067 Intermediate Similarity NPD4628 Phase 3
0.8067 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8065 Intermediate Similarity NPD4380 Phase 2
0.8058 Intermediate Similarity NPD422 Phase 1
0.8041 Intermediate Similarity NPD6099 Approved
0.8041 Intermediate Similarity NPD6100 Approved
0.8025 Intermediate Similarity NPD6166 Phase 2
0.8025 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8014 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD5710 Approved
0.8012 Intermediate Similarity NPD5711 Approved
0.8 Intermediate Similarity NPD1608 Approved
0.7988 Intermediate Similarity NPD7054 Approved
0.7987 Intermediate Similarity NPD920 Approved
0.7987 Intermediate Similarity NPD5403 Approved
0.7987 Intermediate Similarity NPD2346 Discontinued
0.7975 Intermediate Similarity NPD5402 Approved
0.7973 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7961 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7958 Intermediate Similarity NPD2797 Approved
0.7939 Intermediate Similarity NPD7074 Phase 3
0.7939 Intermediate Similarity NPD7472 Approved
0.7931 Intermediate Similarity NPD411 Approved
0.7931 Intermediate Similarity NPD3268 Approved
0.7927 Intermediate Similarity NPD3818 Discontinued
0.7904 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD5953 Discontinued
0.7892 Intermediate Similarity NPD6797 Phase 2
0.7891 Intermediate Similarity NPD447 Suspended
0.7891 Intermediate Similarity NPD230 Phase 1
0.7867 Intermediate Similarity NPD2344 Approved
0.7857 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD5401 Approved
0.7844 Intermediate Similarity NPD7251 Discontinued
0.7838 Intermediate Similarity NPD6651 Approved
0.7826 Intermediate Similarity NPD919 Approved
0.7798 Intermediate Similarity NPD7808 Phase 3
0.7792 Intermediate Similarity NPD7390 Discontinued
0.7786 Intermediate Similarity NPD17 Approved
0.7778 Intermediate Similarity NPD5494 Approved
0.7771 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD7286 Phase 2
0.7762 Intermediate Similarity NPD3225 Approved
0.775 Intermediate Similarity NPD4288 Approved
0.7742 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD6559 Discontinued
0.7733 Intermediate Similarity NPD4308 Phase 3
0.7733 Intermediate Similarity NPD7033 Discontinued
0.773 Intermediate Similarity NPD7199 Phase 2
0.7703 Intermediate Similarity NPD943 Approved
0.7687 Intermediate Similarity NPD2313 Discontinued
0.7687 Intermediate Similarity NPD3764 Approved
0.7683 Intermediate Similarity NPD7229 Phase 3
0.7682 Intermediate Similarity NPD5408 Approved
0.7682 Intermediate Similarity NPD5406 Approved
0.7682 Intermediate Similarity NPD5404 Approved
0.7682 Intermediate Similarity NPD5405 Approved
0.7679 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7671 Intermediate Similarity NPD4908 Phase 1
0.7662 Intermediate Similarity NPD2309 Approved
0.7658 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD9545 Approved
0.7643 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD3926 Phase 2
0.7636 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7626 Intermediate Similarity NPD9493 Approved
0.7619 Intermediate Similarity NPD4625 Phase 3
0.7588 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD3267 Approved
0.7586 Intermediate Similarity NPD3266 Approved
0.7584 Intermediate Similarity NPD4060 Phase 1
0.758 Intermediate Similarity NPD6273 Approved
0.7568 Intermediate Similarity NPD1296 Phase 2
0.7568 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD1610 Phase 2
0.7534 Intermediate Similarity NPD1019 Discontinued
0.7534 Intermediate Similarity NPD2798 Approved
0.7533 Intermediate Similarity NPD1933 Approved
0.7532 Intermediate Similarity NPD2654 Approved
0.7529 Intermediate Similarity NPD4287 Approved
0.7518 Intermediate Similarity NPD1548 Phase 1
0.7517 Intermediate Similarity NPD1283 Approved
0.7516 Intermediate Similarity NPD37 Approved
0.75 Intermediate Similarity NPD6234 Discontinued
0.75 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD4965 Approved
0.7485 Intermediate Similarity NPD4966 Approved
0.7485 Intermediate Similarity NPD4967 Phase 2
0.7484 Intermediate Similarity NPD7003 Approved
0.7467 Intermediate Similarity NPD4307 Phase 2
0.7451 Intermediate Similarity NPD4476 Approved
0.7451 Intermediate Similarity NPD4477 Approved
0.745 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD4749 Approved
0.7443 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD6971 Discontinued
0.7431 Intermediate Similarity NPD1201 Approved
0.7417 Intermediate Similarity NPD5124 Phase 1
0.7417 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD6355 Discontinued
0.7413 Intermediate Similarity NPD1778 Approved
0.7413 Intermediate Similarity NPD4626 Approved
0.7396 Intermediate Similarity NPD7177 Discontinued
0.7396 Intermediate Similarity NPD3751 Discontinued
0.7379 Intermediate Similarity NPD1481 Phase 2
0.7365 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD3787 Discontinued
0.7347 Intermediate Similarity NPD1164 Approved
0.7347 Intermediate Similarity NPD1470 Approved
0.7346 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD8313 Approved
0.7341 Intermediate Similarity NPD8312 Approved
0.7333 Intermediate Similarity NPD6798 Discontinued
0.733 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD1281 Approved
0.731 Intermediate Similarity NPD1535 Discovery
0.731 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD1247 Approved
0.729 Intermediate Similarity NPD1471 Phase 3
0.7273 Intermediate Similarity NPD1894 Discontinued
0.726 Intermediate Similarity NPD9269 Phase 2
0.726 Intermediate Similarity NPD3972 Approved
0.7253 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD3496 Discontinued
0.7237 Intermediate Similarity NPD2979 Phase 3
0.7237 Intermediate Similarity NPD1613 Approved
0.7237 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD3658 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD9268 Approved
0.7222 Intermediate Similarity NPD7458 Discontinued
0.7222 Intermediate Similarity NPD5691 Approved
0.7219 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD5242 Approved
0.7197 Intermediate Similarity NPD1652 Phase 2
0.7193 Intermediate Similarity NPD7228 Approved
0.7182 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD8032 Phase 2
0.7171 Intermediate Similarity NPD6233 Phase 2
0.7167 Intermediate Similarity NPD4363 Phase 3
0.7167 Intermediate Similarity NPD4360 Phase 2
0.7162 Intermediate Similarity NPD1876 Approved
0.716 Intermediate Similarity NPD1653 Approved
0.716 Intermediate Similarity NPD2370 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   371610
ChEMBL   CHEMBL1965404
ZINC  

Physicochemical Properties

Molecular Weight:  388.15
ALogP:  -1.6519
MLogP:  3
XLogP:  5.887
# Rotatable Bonds:  15
Polar Surface Area:  113.29
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  28

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Structure MOL file  
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Biological Activities  
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