Natural Product: NPC237208

Natural Product ID:  NPC237208
Common Name:   2-Hydroxy-4-(2-Hydroxy-4-Methoxy-6-Pentylbenzoyl)Oxy-6-Pentylbenzoic Acid
IUPAC Name:   2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acid
Synonyms:  
Molecular Formula:   C25H32O7
Standard InCHIKey:  UTAQXQVSEKIWBB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C25H32O7/c1-4-6-8-10-16-13-19(15-20(26)22(16)24(28)29)32-25(30)23-17(11-9-7-5-2)12-18(31-3)14-21(23)27/h12-15,26-27H,4-11H2,1-3H3,(H,28,29)
Canonical SMILES:  CCCCCc1cc(OC)cc(c1C(=O)Oc1cc(O)c(c(c1)CCCCC)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
NPO21190 Osteospermum barberiae Species Asteraceae Eukaryota UNPD*
NPO20172 Cystophora monilifera Species Sargassaceae Eukaryota UNPD*
NPO15088 Cortex periplocae radicis NA NA NA TCMSP*
NPO18512 Periploca graeca Species Apocynaceae Eukaryota TCMID*
NPO5881 Catharanthus roseus Species Apocynaceae Eukaryota TCMID*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota TCMID*
NPO11771 Strophanthus kombe Species Apocynaceae Eukaryota TCMID*
NPO17424 Heliopora coerulea Species Helioporidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT368 Cell Line SN12C Homo sapiens GI50 15922.09 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 12359.47 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 13645.83 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 17258.38 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 24945.95 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 16443.72 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 16788.04 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 14825.18 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 13001.7 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 26791.68 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 19815.27 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 16368.17 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 23496.33 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 15205.48 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 19142.56 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 18197.01 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 16106.46 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 12735.03 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 18407.72 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 18323.14 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 18620.87 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 11091.75 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 20417.38 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 17258.38 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 15346.17 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 15848.93 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 14454.4 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 20044.72 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 17701.09 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 16826.74 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 17823.79 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 18450.15 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 15275.66 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 17218.69 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 12560.3 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 13152.25 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 19010.78 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 16481.62 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 14723.13 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 16710.91 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 15885.47 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 14521.12 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 19142.56 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 16826.74 nM PubChem BioAssay data set
NPT577 Cell Line RXF 631 Homo sapiens GI50 17579.24 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 16557.7 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 30902.95 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 16443.72 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 12971.79 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 20749.14 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 17060.82 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 14223.29 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 16032.45 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 18238.96 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 NPC237208 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
0.9928 High Similarity NPC134621
0.9928 High Similarity NPC29577
0.9856 High Similarity NPC66404
0.9856 High Similarity NPC95123
0.972 High Similarity NPC60413
0.9712 High Similarity NPC105648
0.965 High Similarity NPC291049
0.965 High Similarity NPC6923
0.965 High Similarity NPC233267
0.964 High Similarity NPC220106
0.9583 High Similarity NPC307780
0.9583 High Similarity NPC309979
0.958 High Similarity NPC105415
0.9577 High Similarity NPC267509
0.9571 High Similarity NPC250755
0.9517 High Similarity NPC133856
0.951 High Similarity NPC12305
0.9507 High Similarity NPC32470
0.9452 High Similarity NPC273483
0.9375 High Similarity NPC125801
0.9371 High Similarity NPC312789
0.9366 High Similarity NPC310340
0.9362 High Similarity NPC67650
0.9362 High Similarity NPC1704
0.9324 High Similarity NPC89625
0.9324 High Similarity NPC149618
0.9306 High Similarity NPC225173
0.9306 High Similarity NPC163846
0.9262 High Similarity NPC146211
0.9252 High Similarity NPC227166
0.9247 High Similarity NPC476684
0.9231 High Similarity NPC472006
0.9231 High Similarity NPC51106
0.9231 High Similarity NPC469542
0.9225 High Similarity NPC275734
0.9214 High Similarity NPC135837
0.9209 High Similarity NPC180905
0.9209 High Similarity NPC182496
0.9189 High Similarity NPC217447
0.9184 High Similarity NPC470107
0.9184 High Similarity NPC295036
0.9184 High Similarity NPC194379
0.9178 High Similarity NPC471642
0.9178 High Similarity NPC172329
0.9178 High Similarity NPC2569
0.9178 High Similarity NPC471641
0.9178 High Similarity NPC37139
0.9178 High Similarity NPC240622
0.9178 High Similarity NPC240253
0.9172 High Similarity NPC473927
0.9161 High Similarity NPC469579
0.9161 High Similarity NPC49108
0.9161 High Similarity NPC474385
0.9133 High Similarity NPC54928
0.9128 High Similarity NPC472799
0.9122 High Similarity NPC478148
0.9116 High Similarity NPC65589
0.9116 High Similarity NPC288036
0.9116 High Similarity NPC97029
0.9116 High Similarity NPC100985
0.9116 High Similarity NPC158338
0.9116 High Similarity NPC97028
0.911 High Similarity NPC259632
0.9091 High Similarity NPC475730
0.9079 High Similarity NPC143050
0.9078 High Similarity NPC194579
0.9078 High Similarity NPC70380
0.9067 High Similarity NPC20541
0.9067 High Similarity NPC471800
0.9054 High Similarity NPC158866
0.9054 High Similarity NPC475460
0.9054 High Similarity NPC150928
0.9048 High Similarity NPC27221
0.9048 High Similarity NPC256672
0.9048 High Similarity NPC7025
0.9041 High Similarity NPC138978
0.9041 High Similarity NPC107625
0.9041 High Similarity NPC154217
0.9041 High Similarity NPC470322
0.9041 High Similarity NPC181388
0.9034 High Similarity NPC86373
0.9034 High Similarity NPC280404
0.9034 High Similarity NPC210425
0.9034 High Similarity NPC277426
0.9028 High Similarity NPC96692
0.9021 High Similarity NPC165172
0.9014 High Similarity NPC94248
0.9014 High Similarity NPC472602
0.9014 High Similarity NPC191835
0.9014 High Similarity NPC212693
0.9013 High Similarity NPC474373
0.9013 High Similarity NPC238381
0.9007 High Similarity NPC242712
0.9 High Similarity NPC210942
0.9 High Similarity NPC175943
0.9 High Similarity NPC169990
0.8993 High Similarity NPC232645
0.8993 High Similarity NPC58668
0.8993 High Similarity NPC72958
0.8993 High Similarity NPC106372
0.8993 High Similarity NPC474417
0.8993 High Similarity NPC149526
0.8986 High Similarity NPC473978
0.8986 High Similarity NPC10027
0.8986 High Similarity NPC65775
0.898 High Similarity NPC22005
0.898 High Similarity NPC7943
0.898 High Similarity NPC142863
0.898 High Similarity NPC123202
0.8973 High Similarity NPC469935
0.8973 High Similarity NPC1886
0.8973 High Similarity NPC178627
0.8973 High Similarity NPC196137
0.8973 High Similarity NPC472034
0.8973 High Similarity NPC131766
0.8968 High Similarity NPC267153
0.8968 High Similarity NPC7752
0.8966 High Similarity NPC73028
0.8966 High Similarity NPC84266
0.8966 High Similarity NPC471639
0.8966 High Similarity NPC36181
0.8966 High Similarity NPC471643
0.8958 High Similarity NPC158634
0.8958 High Similarity NPC53649
0.8958 High Similarity NPC90411
0.8951 High Similarity NPC32360
0.8951 High Similarity NPC57380
0.8951 High Similarity NPC472368
0.8951 High Similarity NPC124269
0.8944 High Similarity NPC476333
0.8944 High Similarity NPC71256
0.8944 High Similarity NPC472367
0.8944 High Similarity NPC472364
0.8944 High Similarity NPC473391
0.8933 High Similarity NPC474843
0.8933 High Similarity NPC175978
0.8933 High Similarity NPC207624
0.8933 High Similarity NPC154683
0.8933 High Similarity NPC142308
0.8933 High Similarity NPC87708
0.8933 High Similarity NPC40356
0.8929 High Similarity NPC153783
0.8926 High Similarity NPC119929
0.8926 High Similarity NPC474660
0.8926 High Similarity NPC325983
0.8926 High Similarity NPC227122
0.8921 High Similarity NPC219892
0.8921 High Similarity NPC189823
0.8919 High Similarity NPC35150
0.8919 High Similarity NPC106328
0.8919 High Similarity NPC221352
0.8912 High Similarity NPC24136
0.8912 High Similarity NPC187282
0.8912 High Similarity NPC130176
0.8912 High Similarity NPC99454
0.8912 High Similarity NPC196114
0.8912 High Similarity NPC290133
0.8912 High Similarity NPC472033
0.8904 High Similarity NPC470296
0.8904 High Similarity NPC112791
0.8904 High Similarity NPC188632
0.8904 High Similarity NPC87609
0.8904 High Similarity NPC470932
0.8904 High Similarity NPC94794
0.8904 High Similarity NPC196459
0.8903 High Similarity NPC156082
0.8903 High Similarity NPC474350
0.8903 High Similarity NPC300984
0.8903 High Similarity NPC284007
0.8897 High Similarity NPC182255
0.8897 High Similarity NPC471640
0.8897 High Similarity NPC471644
0.8897 High Similarity NPC94076
0.8896 High Similarity NPC303565
0.8889 High Similarity NPC472601
0.8889 High Similarity NPC241975
0.8889 High Similarity NPC140890
0.8889 High Similarity NPC472600
0.8889 High Similarity NPC19476
0.8889 High Similarity NPC155205
0.8889 High Similarity NPC472366
0.8889 High Similarity NPC254994
0.8882 High Similarity NPC4547
0.8881 High Similarity NPC478200
0.8881 High Similarity NPC33144
0.8881 High Similarity NPC188879
0.8874 High Similarity NPC475895
0.8874 High Similarity NPC329844
0.8873 High Similarity NPC235115
0.8873 High Similarity NPC50455
0.8867 High Similarity NPC204350
0.8867 High Similarity NPC193976
0.8867 High Similarity NPC215921
0.8867 High Similarity NPC209142
0.8867 High Similarity NPC115324
0.8867 High Similarity NPC312549
0.8867 High Similarity NPC70016
0.8867 High Similarity NPC23668
0.8865 High Similarity NPC20560
0.8865 High Similarity NPC28753

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC237208 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
0.922 High Similarity NPD970 Clinical (unspecified phase)
0.9128 High Similarity NPD7819 Suspended
0.8716 High Similarity NPD4378 Clinical (unspecified phase)
0.8716 High Similarity NPD2532 Approved
0.8716 High Similarity NPD2534 Approved
0.8716 High Similarity NPD2533 Approved
0.8699 High Similarity NPD3750 Approved
0.8621 High Similarity NPD1552 Clinical (unspecified phase)
0.8621 High Similarity NPD1550 Clinical (unspecified phase)
0.8592 High Similarity NPD1240 Approved
0.8582 High Similarity NPD6859 Clinical (unspecified phase)
0.8581 High Similarity NPD7075 Discontinued
0.8581 High Similarity NPD3749 Approved
0.8562 High Similarity NPD1549 Phase 2
0.8523 High Similarity NPD6799 Approved
0.8516 High Similarity NPD7768 Phase 2
0.8506 High Similarity NPD2393 Clinical (unspecified phase)
0.8506 High Similarity NPD7096 Clinical (unspecified phase)
0.8497 Intermediate Similarity NPD7411 Suspended
0.8483 Intermediate Similarity NPD1510 Phase 2
0.8481 Intermediate Similarity NPD6232 Discontinued
0.8472 Intermediate Similarity NPD1607 Approved
0.8452 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8442 Intermediate Similarity NPD1934 Approved
0.8438 Intermediate Similarity NPD7473 Discontinued
0.8431 Intermediate Similarity NPD6599 Discontinued
0.8425 Intermediate Similarity NPD1551 Phase 2
0.8425 Intermediate Similarity NPD2935 Discontinued
0.8425 Intermediate Similarity NPD2796 Approved
0.8418 Intermediate Similarity NPD6959 Discontinued
0.84 Intermediate Similarity NPD1511 Approved
0.8387 Intermediate Similarity NPD2801 Approved
0.8356 Intermediate Similarity NPD3748 Approved
0.8344 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD3817 Phase 2
0.8289 Intermediate Similarity NPD1512 Approved
0.828 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.828 Intermediate Similarity NPD3882 Suspended
0.8269 Intermediate Similarity NPD1465 Phase 2
0.8261 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8255 Intermediate Similarity NPD1243 Approved
0.8247 Intermediate Similarity NPD3226 Approved
0.8227 Intermediate Similarity NPD1203 Approved
0.8221 Intermediate Similarity NPD5844 Phase 1
0.8205 Intermediate Similarity NPD6801 Discontinued
0.82 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD6832 Phase 2
0.8176 Intermediate Similarity NPD6100 Approved
0.8176 Intermediate Similarity NPD6099 Approved
0.8133 Intermediate Similarity NPD2800 Approved
0.8133 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8113 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8108 Intermediate Similarity NPD2799 Discontinued
0.8079 Intermediate Similarity NPD4628 Phase 3
0.8077 Intermediate Similarity NPD4380 Phase 2
0.8061 Intermediate Similarity NPD7074 Phase 3
0.8037 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8037 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8037 Intermediate Similarity NPD6166 Phase 2
0.8025 Intermediate Similarity NPD5711 Approved
0.8025 Intermediate Similarity NPD5710 Approved
0.8014 Intermediate Similarity NPD1608 Approved
0.8014 Intermediate Similarity NPD9717 Approved
0.8 Intermediate Similarity NPD7054 Approved
0.8 Intermediate Similarity NPD2346 Discontinued
0.8 Intermediate Similarity NPD920 Approved
0.7987 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7974 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7973 Intermediate Similarity NPD6651 Approved
0.7972 Intermediate Similarity NPD2797 Approved
0.7961 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7952 Intermediate Similarity NPD7472 Approved
0.7945 Intermediate Similarity NPD3268 Approved
0.7943 Intermediate Similarity NPD422 Phase 1
0.7939 Intermediate Similarity NPD3818 Discontinued
0.7905 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7904 Intermediate Similarity NPD5953 Discontinued
0.7892 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD7286 Phase 2
0.7885 Intermediate Similarity NPD5403 Approved
0.7881 Intermediate Similarity NPD2344 Approved
0.7875 Intermediate Similarity NPD5402 Approved
0.7871 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD7251 Discontinued
0.784 Intermediate Similarity NPD919 Approved
0.7823 Intermediate Similarity NPD411 Approved
0.7811 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD7808 Phase 3
0.7806 Intermediate Similarity NPD7390 Discontinued
0.7805 Intermediate Similarity NPD7229 Phase 3
0.7801 Intermediate Similarity NPD17 Approved
0.7798 Intermediate Similarity NPD6797 Phase 2
0.7791 Intermediate Similarity NPD5494 Approved
0.7785 Intermediate Similarity NPD447 Suspended
0.7785 Intermediate Similarity NPD230 Phase 1
0.7764 Intermediate Similarity NPD4288 Approved
0.7756 Intermediate Similarity NPD5401 Approved
0.7756 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD6559 Discontinued
0.7748 Intermediate Similarity NPD7033 Discontinued
0.7748 Intermediate Similarity NPD4308 Phase 3
0.7744 Intermediate Similarity NPD7199 Phase 2
0.7718 Intermediate Similarity NPD943 Approved
0.7703 Intermediate Similarity NPD3764 Approved
0.7703 Intermediate Similarity NPD2313 Discontinued
0.7697 Intermediate Similarity NPD5408 Approved
0.7697 Intermediate Similarity NPD5405 Approved
0.7697 Intermediate Similarity NPD5406 Approved
0.7697 Intermediate Similarity NPD5404 Approved
0.7692 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD4908 Phase 1
0.7677 Intermediate Similarity NPD2309 Approved
0.7673 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7658 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7655 Intermediate Similarity NPD3225 Approved
0.7651 Intermediate Similarity NPD3926 Phase 2
0.7651 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7635 Intermediate Similarity NPD4625 Phase 3
0.7603 Intermediate Similarity NPD3266 Approved
0.7603 Intermediate Similarity NPD3267 Approved
0.7602 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD4060 Phase 1
0.7595 Intermediate Similarity NPD6273 Approved
0.7584 Intermediate Similarity NPD1296 Phase 2
0.7584 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD1610 Phase 2
0.7557 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD2798 Approved
0.755 Intermediate Similarity NPD6355 Discontinued
0.7543 Intermediate Similarity NPD4287 Approved
0.7535 Intermediate Similarity NPD9545 Approved
0.7534 Intermediate Similarity NPD1283 Approved
0.7531 Intermediate Similarity NPD37 Approved
0.7518 Intermediate Similarity NPD9493 Approved
0.7515 Intermediate Similarity NPD6234 Discontinued
0.75 Intermediate Similarity NPD4966 Approved
0.75 Intermediate Similarity NPD4965 Approved
0.75 Intermediate Similarity NPD4967 Phase 2
0.75 Intermediate Similarity NPD7003 Approved
0.7483 Intermediate Similarity NPD4307 Phase 2
0.7469 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD4477 Approved
0.7468 Intermediate Similarity NPD4476 Approved
0.7467 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD4749 Approved
0.7457 Intermediate Similarity NPD8312 Approved
0.7457 Intermediate Similarity NPD8313 Approved
0.7448 Intermediate Similarity NPD1201 Approved
0.7443 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD2654 Approved
0.7434 Intermediate Similarity NPD5124 Phase 1
0.7434 Intermediate Similarity NPD1933 Approved
0.7434 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD1019 Discontinued
0.7431 Intermediate Similarity NPD4626 Approved
0.7413 Intermediate Similarity NPD1548 Phase 1
0.7412 Intermediate Similarity NPD7177 Discontinued
0.7403 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD1470 Approved
0.7365 Intermediate Similarity NPD1164 Approved
0.7363 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD6798 Discontinued
0.7351 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD6971 Discontinued
0.7346 Intermediate Similarity NPD7458 Discontinued
0.7333 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD1281 Approved
0.7329 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD1247 Approved
0.731 Intermediate Similarity NPD1778 Approved
0.731 Intermediate Similarity NPD7228 Approved
0.731 Intermediate Similarity NPD3751 Discontinued
0.7308 Intermediate Similarity NPD1471 Phase 3
0.7303 Intermediate Similarity NPD8032 Phase 2
0.7293 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD7095 Approved
0.7279 Intermediate Similarity NPD1481 Phase 2
0.7279 Intermediate Similarity NPD3972 Approved
0.7278 Intermediate Similarity NPD3787 Discontinued
0.7255 Intermediate Similarity NPD2979 Phase 3
0.7255 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD1613 Approved
0.7249 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7249 Intermediate Similarity NPD7783 Phase 2
0.7241 Intermediate Similarity NPD5691 Approved
0.7241 Intermediate Similarity NPD3658 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD5242 Approved
0.7234 Intermediate Similarity NPD8151 Discontinued
0.7232 Intermediate Similarity NPD8434 Phase 2
0.7219 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD1535 Discovery
0.7209 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD4360 Phase 2
0.7182 Intermediate Similarity NPD4363 Phase 3
0.7181 Intermediate Similarity NPD1876 Approved
0.7178 Intermediate Similarity NPD2370 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   174857
ChEMBL   CHEMBL2006643
ZINC  

Physicochemical Properties

Molecular Weight:  444.21
ALogP:  -2.8039
MLogP:  3.44
XLogP:  8.163
# Rotatable Bonds:  19
Polar Surface Area:  113.29
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  32

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