Natural Product: NPC164762

Natural Product ID:  NPC164762
Common Name:   Sid510588
IUPAC Name:   (E)-3-[(7R)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid
Synonyms:  
Molecular Formula:   C21H16O9
Standard InCHIKey:  ZJIWQCFXEQSFGR-YEFOHOTDSA-N
Standard InCHI:  InChI=1S/C21H16O9/c1-10-5-12(22)8-15(23)18(10)20(28)30-21(2)16(24)7-11-6-13(3-4-17(25)26)29-9-14(11)19(21)27/h3-9,22-23H,1-2H3,(H,25,26)/b4-3+/t21-/m1/s1
Canonical SMILES:  OC(=O)/C=C/C1=CC2=CC(=O)[C@@](C(=O)C2=CO1)(C)OC(=O)c1c(C)cc(cc1O)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
NPO33444 penicillium pinophilum Species Aspergillaceae Eukaryota PMID[26291474]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT375 Cell Line Malme-3M Homo sapiens GI50 67297.67 nM 12932146
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM 11809072
NPT396 Cell Line T47D Homo sapiens GI50 100000 nM 21073191
NPT393 Cell Line HCT-116 Homo sapiens GI50 76913.04 nM 10.1016/j.cropro.2012.04.001
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 100000 nM 8946744
NPT367 Cell Line MDA-N Homo sapiens GI50 100000 nM 25871261
NPT388 Cell Line NCI-H322M Homo sapiens GI50 76913.04 nM 26259802
NPT369 Cell Line ACHN Homo sapiens GI50 100000 nM 20381216
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM Open TG-GATES in vivo data: Organ Weight
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 38459.18 nM 17822295
NPT390 Cell Line LOX IMVI Homo sapiens GI50 37239.17 nM 12608862
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 nM 24709561
NPT306 Cell Line PC-3 Homo sapiens GI50 100000 nM 25245917
NPT406 Cell Line RXF 393 Homo sapiens GI50 100000 nM DrugMatrix in vitro pharmacology data
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM DailyMed
NPT398 Cell Line UACC-62 Homo sapiens GI50 100000 nM 8941400
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM 10.6019/CHEMBL1201861
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM 10.6019/CHEMBL1201861
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM 10.6019/CHEMBL1201861
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM 14518939
NPT323 Cell Line SW-620 Homo sapiens GI50 58344.51 nM 21667925
NPT111 Cell Line K562 Homo sapiens GI50 100000 nM 19650639
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 100000 nM 7931367
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM 25934225
NPT370 Cell Line NCI-H23 Homo sapiens GI50 100000 nM 18458127
NPT83 Cell Line MCF7 Homo sapiens GI50 47752.93 nM 18490507
NPT397 Cell Line NCI-H460 Homo sapiens GI50 100000 nM 10.1007/s00044-010-9388-0
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 100000 nM 10.1007/s00044-010-9394-2
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM 24660966
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 100000 nM 23668986
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 100000 nM 10.6019/CHEMBL1201861
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM 25847767
NPT387 Cell Line M14 Homo sapiens GI50 100000 nM 26355532
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 100000 nM 23145909
NPT148 Cell Line HCT-15 Homo sapiens GI50 100000 nM 15332848
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM 22545792
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 100000 nM 24571273
NPT386 Cell Line KM12 Homo sapiens GI50 41686.94 nM 16643049
NPT385 Cell Line SR Homo sapiens GI50 42169.65 nM 17698630
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM 23395661
NPT139 Cell Line HT-29 Homo sapiens GI50 94406.09 nM 10.1021/np50041a029
NPT399 Cell Line SF-295 Homo sapiens GI50 100000 nM 19555123
NPT392 Cell Line SNB-75 Homo sapiens GI50 760.33 nM 12932125
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM 19805565
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM 18591275
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM 20521771
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM 18163584
NPT402 Cell Line Hs-578T Homo sapiens GI50 100000 nM DrugMatrix in vitro pharmacology data
NPT384 Cell Line TK-10 Homo sapiens GI50 45603.69 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM 18855442
NPT372 Cell Line HOP-92 Homo sapiens GI50 31768.74 nM 9871657
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM 20411974
NPT112 Cell Line MOLT-4 Homo sapiens GI50 60813.5 nM 3735304
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM 18023934
NPT116 Cell Line HL-60 Homo sapiens GI50 31915.38 nM 24374271

  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 NPC164762 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
0.9931 High Similarity NPC91809
0.993 High Similarity NPC84142
0.9595 High Similarity NPC317585
0.9467 High Similarity NPC472889
0.9463 High Similarity NPC472890
0.9463 High Similarity NPC478221
0.9459 High Similarity NPC478224
0.9456 High Similarity NPC472891
0.9396 High Similarity NPC137301
0.9338 High Similarity NPC478225
0.9333 High Similarity NPC170189
0.9333 High Similarity NPC69043
0.9333 High Similarity NPC478230
0.9333 High Similarity NPC208173
0.9329 High Similarity NPC115249
0.9329 High Similarity NPC184284
0.9329 High Similarity NPC76041
0.9281 High Similarity NPC317544
0.9267 High Similarity NPC478231
0.9231 High Similarity NPC52358
0.9103 High Similarity NPC158634
0.9085 High Similarity NPC246466
0.9085 High Similarity NPC478226
0.9028 High Similarity NPC478200
0.9028 High Similarity NPC33144
0.898 High Similarity NPC478202
0.8973 High Similarity NPC472035
0.8973 High Similarity NPC478201
0.8973 High Similarity NPC244923
0.8966 High Similarity NPC268052
0.8966 High Similarity NPC92655
0.8966 High Similarity NPC32360
0.8933 High Similarity NPC73411
0.8933 High Similarity NPC215711
0.8931 High Similarity NPC328321
0.8904 High Similarity NPC156872
0.8897 High Similarity NPC191835
0.8889 High Similarity NPC471695
0.8881 High Similarity NPC175943
0.8874 High Similarity NPC77325
0.8874 High Similarity NPC4423
0.8868 High Similarity NPC283041
0.8867 High Similarity NPC210320
0.8867 High Similarity NPC52106
0.8861 High Similarity NPC191930
0.8859 High Similarity NPC472034
0.8844 High Similarity NPC53649
0.8844 High Similarity NPC478217
0.8844 High Similarity NPC313123
0.8828 High Similarity NPC70380
0.8816 High Similarity NPC56204
0.8811 High Similarity NPC153783
0.8805 High Similarity NPC20237
0.88 High Similarity NPC472033
0.8797 High Similarity NPC249181
0.8792 High Similarity NPC478203
0.8792 High Similarity NPC151607
0.8792 High Similarity NPC475201
0.8792 High Similarity NPC210966
0.8792 High Similarity NPC126882
0.8792 High Similarity NPC42540
0.8784 High Similarity NPC474385
0.8776 High Similarity NPC158472
0.8774 High Similarity NPC472050
0.8767 High Similarity NPC212693
0.8767 High Similarity NPC472602
0.8767 High Similarity NPC9121
0.8767 High Similarity NPC177307
0.8767 High Similarity NPC94248
0.8759 High Similarity NPC235115
0.8742 High Similarity NPC472036
0.8742 High Similarity NPC259632
0.8733 High Similarity NPC257558
0.8733 High Similarity NPC312789
0.8725 High Similarity NPC159721
0.8725 High Similarity NPC472006
0.8716 High Similarity NPC1704
0.8716 High Similarity NPC472603
0.8716 High Similarity NPC67650
0.8716 High Similarity NPC475730
0.871 High Similarity NPC99381
0.8707 High Similarity NPC247409
0.8699 High Similarity NPC135837
0.8699 High Similarity NPC71256
0.8693 High Similarity NPC158866
0.8693 High Similarity NPC295036
0.8684 High Similarity NPC471642
0.8684 High Similarity NPC471641
0.8684 High Similarity NPC37139
0.8684 High Similarity NPC240622
0.8684 High Similarity NPC240253
0.8675 High Similarity NPC51513
0.8675 High Similarity NPC202112
0.8671 High Similarity NPC219892
0.8671 High Similarity NPC189823
0.8667 High Similarity NPC210425
0.8667 High Similarity NPC277426
0.8667 High Similarity NPC280404
0.8667 High Similarity NPC86373
0.8658 High Similarity NPC250755
0.8649 High Similarity NPC49242
0.8649 High Similarity NPC472600
0.8649 High Similarity NPC230902
0.8649 High Similarity NPC155205
0.8649 High Similarity NPC472601
0.8645 High Similarity NPC472799
0.8639 High Similarity NPC472403
0.863 High Similarity NPC50455
0.8627 High Similarity NPC237440
0.8627 High Similarity NPC476684
0.8627 High Similarity NPC270160
0.86 High Similarity NPC354984
0.86 High Similarity NPC469542
0.86 High Similarity NPC471731
0.86 High Similarity NPC51106
0.8599 High Similarity NPC263483
0.8591 High Similarity NPC472605
0.8591 High Similarity NPC472604
0.8581 High Similarity NPC105456
0.8581 High Similarity NPC25427
0.8581 High Similarity NPC295339
0.8581 High Similarity NPC139634
0.8571 High Similarity NPC474849
0.8571 High Similarity NPC474771
0.8571 High Similarity NPC149372
0.8571 High Similarity NPC150928
0.8571 High Similarity NPC65837
0.8571 High Similarity NPC194579
0.8571 High Similarity NPC178467
0.8562 High Similarity NPC27407
0.8562 High Similarity NPC172329
0.8562 High Similarity NPC180905
0.8562 High Similarity NPC182496
0.8562 High Similarity NPC221352
0.8562 High Similarity NPC2569
0.8553 High Similarity NPC473023
0.8553 High Similarity NPC153758
0.8553 High Similarity NPC163846
0.8553 High Similarity NPC107625
0.8553 High Similarity NPC225173
0.8543 High Similarity NPC470216
0.8543 High Similarity NPC95123
0.8543 High Similarity NPC66404
0.8533 High Similarity NPC49108
0.8533 High Similarity NPC469579
0.8533 High Similarity NPC82913
0.8533 High Similarity NPC471733
0.8526 High Similarity NPC210942
0.8526 High Similarity NPC155686
0.8526 High Similarity NPC169990
0.8523 High Similarity NPC109007
0.8516 High Similarity NPC215921
0.8516 High Similarity NPC132990
0.8516 High Similarity NPC230848
0.8516 High Similarity NPC46882
0.8516 High Similarity NPC70016
0.8514 High Similarity NPC475974
0.8514 High Similarity NPC61590
0.8506 High Similarity NPC10027
0.8506 High Similarity NPC474052
0.8506 High Similarity NPC65775
0.8503 High Similarity NPC158481
0.85 High Similarity NPC473022
0.8497 Intermediate Similarity NPC125801
0.8497 Intermediate Similarity NPC12305
0.8491 Intermediate Similarity NPC243701
0.8491 Intermediate Similarity NPC472055
0.8487 Intermediate Similarity NPC474630
0.8487 Intermediate Similarity NPC83272
0.8487 Intermediate Similarity NPC134621
0.8487 Intermediate Similarity NPC28632
0.8477 Intermediate Similarity NPC215451
0.8477 Intermediate Similarity NPC277369
0.8477 Intermediate Similarity NPC472610
0.8471 Intermediate Similarity NPC80534
0.8471 Intermediate Similarity NPC56786
0.8467 Intermediate Similarity NPC90411
0.8467 Intermediate Similarity NPC37530
0.8462 Intermediate Similarity NPC470340
0.8462 Intermediate Similarity NPC271681
0.8456 Intermediate Similarity NPC88269
0.8452 Intermediate Similarity NPC469670
0.8452 Intermediate Similarity NPC60413
0.8452 Intermediate Similarity NPC470107
0.8452 Intermediate Similarity NPC469619
0.8452 Intermediate Similarity NPC85131
0.8446 Intermediate Similarity NPC261292
0.8446 Intermediate Similarity NPC472364
0.8446 Intermediate Similarity NPC472367
0.8446 Intermediate Similarity NPC476333
0.8446 Intermediate Similarity NPC473391
0.8446 Intermediate Similarity NPC301915
0.8442 Intermediate Similarity NPC211811
0.8442 Intermediate Similarity NPC153417
0.8438 Intermediate Similarity NPC117985
0.8435 Intermediate Similarity NPC142027
0.8431 Intermediate Similarity NPC237208
0.8431 Intermediate Similarity NPC470570
0.8431 Intermediate Similarity NPC196114
0.8428 Intermediate Similarity NPC470339

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC164762 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
0.8707 High Similarity NPD970 Clinical (unspecified phase)
0.8526 High Similarity NPD7819 Suspended
0.8365 Intermediate Similarity NPD7075 Discontinued
0.8354 Intermediate Similarity NPD3817 Phase 2
0.8301 Intermediate Similarity NPD6799 Approved
0.8255 Intermediate Similarity NPD1510 Phase 2
0.8247 Intermediate Similarity NPD2532 Approved
0.8247 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8247 Intermediate Similarity NPD2534 Approved
0.8247 Intermediate Similarity NPD2533 Approved
0.8228 Intermediate Similarity NPD6801 Discontinued
0.8224 Intermediate Similarity NPD3750 Approved
0.8217 Intermediate Similarity NPD6599 Discontinued
0.8176 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8075 Intermediate Similarity NPD3882 Suspended
0.805 Intermediate Similarity NPD7411 Suspended
0.8049 Intermediate Similarity NPD6232 Discontinued
0.8025 Intermediate Similarity NPD5403 Approved
0.8013 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD5402 Approved
0.8012 Intermediate Similarity NPD7473 Discontinued
0.8 Intermediate Similarity NPD1607 Approved
0.7987 Intermediate Similarity NPD1240 Approved
0.7987 Intermediate Similarity NPD4380 Phase 2
0.7987 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7974 Intermediate Similarity NPD1549 Phase 2
0.7962 Intermediate Similarity NPD1512 Approved
0.7961 Intermediate Similarity NPD2796 Approved
0.7914 Intermediate Similarity NPD3749 Approved
0.7908 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7908 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD5401 Approved
0.7895 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD3748 Approved
0.7879 Intermediate Similarity NPD6959 Discontinued
0.7844 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7843 Intermediate Similarity NPD1551 Phase 2
0.784 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.784 Intermediate Similarity NPD2801 Approved
0.7836 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD1511 Approved
0.7824 Intermediate Similarity NPD6797 Phase 2
0.7815 Intermediate Similarity NPD230 Phase 1
0.7805 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD1934 Approved
0.7778 Intermediate Similarity NPD7251 Discontinued
0.7756 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD7768 Phase 2
0.7738 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD6166 Phase 2
0.7733 Intermediate Similarity NPD7808 Phase 3
0.7727 Intermediate Similarity NPD2935 Discontinued
0.7722 Intermediate Similarity NPD7390 Discontinued
0.7706 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7702 Intermediate Similarity NPD3226 Approved
0.7692 Intermediate Similarity NPD9545 Approved
0.7657 Intermediate Similarity NPD8150 Discontinued
0.7651 Intermediate Similarity NPD919 Approved
0.7647 Intermediate Similarity NPD6651 Approved
0.7647 Intermediate Similarity NPD3818 Discontinued
0.7636 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD5710 Approved
0.7619 Intermediate Similarity NPD5711 Approved
0.7616 Intermediate Similarity NPD3764 Approved
0.7616 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7613 Intermediate Similarity NPD5404 Approved
0.7613 Intermediate Similarity NPD5408 Approved
0.7613 Intermediate Similarity NPD5405 Approved
0.7613 Intermediate Similarity NPD5406 Approved
0.7602 Intermediate Similarity NPD5844 Phase 1
0.7602 Intermediate Similarity NPD7054 Approved
0.7595 Intermediate Similarity NPD6190 Approved
0.758 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD2800 Approved
0.7558 Intermediate Similarity NPD7472 Approved
0.7552 Intermediate Similarity NPD9493 Approved
0.7516 Intermediate Similarity NPD943 Approved
0.75 Intermediate Similarity NPD6100 Approved
0.75 Intermediate Similarity NPD6099 Approved
0.7471 Intermediate Similarity NPD6559 Discontinued
0.7469 Intermediate Similarity NPD920 Approved
0.7468 Intermediate Similarity NPD1243 Approved
0.7457 Intermediate Similarity NPD7074 Phase 3
0.7452 Intermediate Similarity NPD2346 Discontinued
0.7442 Intermediate Similarity NPD3751 Discontinued
0.7438 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD4628 Phase 3
0.7414 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD5953 Discontinued
0.741 Intermediate Similarity NPD1465 Phase 2
0.74 Intermediate Similarity NPD1470 Approved
0.7368 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD6832 Phase 2
0.7368 Intermediate Similarity NPD3926 Phase 2
0.7366 Intermediate Similarity NPD7435 Discontinued
0.7365 Intermediate Similarity NPD1201 Approved
0.7362 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD2799 Discontinued
0.7315 Intermediate Similarity NPD9717 Approved
0.731 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD5494 Approved
0.7285 Intermediate Similarity NPD1203 Approved
0.7278 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD411 Approved
0.7263 Intermediate Similarity NPD8434 Phase 2
0.7262 Intermediate Similarity NPD4288 Approved
0.7251 Intermediate Similarity NPD1247 Approved
0.7248 Intermediate Similarity NPD422 Phase 1
0.7237 Intermediate Similarity NPD2798 Approved
0.7234 Intermediate Similarity NPD8320 Phase 1
0.7234 Intermediate Similarity NPD8319 Approved
0.7233 Intermediate Similarity NPD2344 Approved
0.7228 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD7033 Discontinued
0.7215 Intermediate Similarity NPD4308 Phase 3
0.7213 Intermediate Similarity NPD6535 Approved
0.7213 Intermediate Similarity NPD6534 Approved
0.7209 Intermediate Similarity NPD3787 Discontinued
0.7207 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD6776 Approved
0.7204 Intermediate Similarity NPD6781 Approved
0.7204 Intermediate Similarity NPD6782 Approved
0.7204 Intermediate Similarity NPD6778 Approved
0.7204 Intermediate Similarity NPD6777 Approved
0.7204 Intermediate Similarity NPD6780 Approved
0.7204 Intermediate Similarity NPD6779 Approved
0.72 Intermediate Similarity NPD7286 Phase 2
0.7169 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD2313 Discontinued
0.7161 Intermediate Similarity NPD3268 Approved
0.7151 Intermediate Similarity NPD7199 Phase 2
0.7143 Intermediate Similarity NPD37 Approved
0.7135 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6234 Discontinued
0.7135 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7874 Approved
0.7134 Intermediate Similarity NPD447 Suspended
0.7134 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD1471 Phase 3
0.7118 Intermediate Similarity NPD4965 Approved
0.7118 Intermediate Similarity NPD4967 Phase 2
0.7118 Intermediate Similarity NPD4966 Approved
0.7117 Intermediate Similarity NPD7236 Approved
0.7117 Intermediate Similarity NPD3300 Phase 2
0.7099 Intermediate Similarity NPD8166 Discontinued
0.7099 Intermediate Similarity NPD7003 Approved
0.7097 Intermediate Similarity NPD7700 Phase 2
0.7097 Intermediate Similarity NPD7699 Phase 2
0.7095 Intermediate Similarity NPD8312 Approved
0.7095 Intermediate Similarity NPD8313 Approved
0.709 Intermediate Similarity NPD7697 Approved
0.709 Intermediate Similarity NPD7698 Approved
0.709 Intermediate Similarity NPD7696 Phase 3
0.7086 Intermediate Similarity NPD9269 Phase 2
0.707 Intermediate Similarity NPD4060 Phase 1
0.7066 Intermediate Similarity NPD7458 Discontinued
0.7059 Intermediate Similarity NPD2797 Approved
0.7059 Intermediate Similarity NPD1164 Approved
0.7055 Intermediate Similarity NPD2309 Approved
0.7053 Intermediate Similarity NPD7871 Phase 2
0.7053 Intermediate Similarity NPD7870 Phase 2
0.7047 Intermediate Similarity NPD9268 Approved
0.7039 Intermediate Similarity NPD4749 Approved
0.7037 Intermediate Similarity NPD2654 Approved
0.7035 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD5124 Phase 1
0.7025 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD7229 Phase 3
0.7006 Intermediate Similarity NPD7239 Suspended
0.7 Intermediate Similarity NPD4626 Approved
0.7 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.6995 Remote Similarity NPD4287 Approved
0.6995 Remote Similarity NPD8151 Discontinued
0.6993 Remote Similarity NPD74 Approved
0.6993 Remote Similarity NPD9266 Approved
0.6988 Remote Similarity NPD6273 Approved
0.6987 Remote Similarity NPD4625 Phase 3
0.6974 Remote Similarity NPD1608 Approved
0.6974 Remote Similarity NPD3972 Approved
0.697 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6966 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6962 Remote Similarity NPD4307 Phase 2
0.6949 Remote Similarity NPD7177 Discontinued
0.6943 Remote Similarity NPD6798 Discontinued
0.6943 Remote Similarity NPD7701 Phase 2
0.6943 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6933 Remote Similarity NPD5691 Approved
0.6932 Remote Similarity NPD2403 Approved
0.6931 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6928 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4908 Phase 1
0.6923 Remote Similarity NPD9263 Approved
0.6923 Remote Similarity NPD9265 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5468104
ChEMBL   CHEMBL2003263
ZINC  

Physicochemical Properties

Molecular Weight:  412.08
ALogP:  -0.8378
MLogP:  2.78
XLogP:  1.508
# Rotatable Bonds:  10
Polar Surface Area:  147.43
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  30

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Biological Activities  
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