Natural Product: NPC295492

Natural Product ID:  NPC295492
Common Name:   Chlorogenic Acid Methyl Ester
IUPAC Name:   methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
Synonyms:   Chlorogenic Acid Methyl Ester; Methyl Chlorogenate; Methyl Chlorogenic Acid
Molecular Formula:   C17H20O9
Standard InCHIKey:  MZNIJRAPCCELQX-AWOKGZDASA-N
Standard InCHI:  InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1
Canonical SMILES:  COC(=O)[C@]1(O)C[C@@H](O)[C@H]([C@@H](C1)OC(=O)/C=C/c1ccc(c(c1)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
NPO32755 erycibe hainanesis Species Convolvulaceae Eukaryota roots and stems Hainan Province, China 2008-MAR PMID[20092289]
NPO18208 Streptomyces thermoviolaceus Species Streptomycetaceae Bacteria UNPD*
NPO6906 Atalantia wightii Species Rutaceae Eukaryota UNPD*
NPO5470 Cynoglossum amabile Species Boraginaceae Eukaryota UNPD*
NPO5398 Peucedanum oroselinum Species Apiaceae Eukaryota UNPD*
NPO11430 Inula grantioides Species Asteraceae Eukaryota UNPD*
NPO2449 Alangium grisolleoides Species Cornaceae Eukaryota UNPD*
NPO10098 Glycosmis pseudoracemosa Species Rutaceae Eukaryota UNPD*
NPO10994 Sargentodoxa cuneata Species Lardizabalaceae Eukaryota TM-MC*
NPO13647 Calcarisporium thermophilum Species NA Eukaryota UNPD*
NPO20659 Aplysia parvula Species Aplysiidae Eukaryota UNPD*
NPO16729 Annella reticulata Species Subergorgiidae Eukaryota UNPD*
NPO24693 Prunus cerasus Species Rosaceae Eukaryota PMID[9917288]
NPO15233 Balanophora japonica Species Balanophoraceae Eukaryota UNPD*
NPO16850 Eucommia ulmoides Species Eucommiaceae Eukaryota TCMID*
NPO5829 Distylium racemosum Species Hamamelidaceae Eukaryota PMID[21489793]
NPO12487 Juniperus horizontalis Species Cupressaceae Eukaryota UNPD*
NPO67 Fructus mori NA NA NA TCMID*
NPO33307 pimpinella brachycarpa Species Apiaceae Eukaryota PMID[23462643]
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO6975 Spina gleditsiae NA NA NA TCMID*
NPO7521 Hygrophorus eburneus Species Hygrophoraceae Eukaryota UNPD*
NPO29635 Eucommiae cortex NA NA NA TCMSP*
NPO6667 Zephyranthes sulphurea Species Amaryllidaceae Eukaryota UNPD*
NPO15329 Rhizoplaca baranowii Species Lecanoraceae Eukaryota UNPD*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO18373 Chromodoris lochi Species Chromodorididae Eukaryota UNPD*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO23772 Tetradium glabrifolium Species Rutaceae Eukaryota UNPD*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO12887 Brevibacterium linens Species Brevibacteriaceae Bacteria UNPD*
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota TM-MC*
NPO3965 Corynanthe pachyceras Species Rubiaceae Eukaryota UNPD*
NPO16850 Eucommia ulmoides Species Eucommiaceae Eukaryota TM-MC*
NPO3761 Plectosphaerella cucumerina Species Plectosphaerellaceae Eukaryota UNPD*
NPO4596 Lonicera confusa Species Caprifoliaceae Eukaryota TM-MC*
NPO16801 Cota tinctoria Species Asteraceae Eukaryota UNPD*
NPO2476 Lonicera fulvotomentosa Species Caprifoliaceae Eukaryota TM-MC*
NPO18873.2 Salmonella enterica subsp. enterica serovar bovismorbificans Subspecies Enterobacteriaceae Bacteria UNPD*
NPO21345 Lonicera hypoglauca Species Caprifoliaceae Eukaryota TM-MC*
NPO15866 Goniothalamus amuyon Species Annonaceae Eukaryota UNPD*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO14526 Plectranthus caninus Species Lamiaceae Eukaryota UNPD*
NPO17072 Lonicera macranthoides Species Caprifoliaceae Eukaryota TM-MC*
NPO26958 Uvaria griffithii Species Annonaceae Eukaryota UNPD*
NPO28265 Morus alba Species Moraceae Eukaryota TM-MC*
NPO1109 Corydalis persica Species Papaveraceae Eukaryota UNPD*
NPO14108 Nardostachys jatamansi Species Caprifoliaceae Eukaryota TM-MC*
NPO16850 Eucommia ulmoides Species Eucommiaceae Eukaryota TCM_Taiwan*
NPO13278 Strychnos spinosa Species Loganiaceae Eukaryota UNPD*
NPO2330 Alchornea cordifolia Species Euphorbiaceae Eukaryota UNPD*
NPO13848 Amomum daniellii Species Zingiberaceae Eukaryota UNPD*
NPO14947 Lathyrus tingitanus Species Fabaceae Eukaryota UNPD*
NPO20994 Cryptocarya alba Species Lauraceae Eukaryota UNPD*
NPO15145 Rauvolfia salicifolia Species Apocynaceae Eukaryota UNPD*
NPO1759 Alexandrium excavatum Species Gonyaulacaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 50 % 9003513
NPT2 Others Unspecified Activity = 50 % 9917288
NPT3046 Individual Protein Ribonuclease HI Escherichia coli (strain K12) IC50 > 20000 nM 21489793
NPT2 Others Unspecified IC50 > 20000 nM 21489793
NPT78 Individual Protein Beta amyloid A4 protein Homo sapiens IC50 > 100000 nM 22921742
NPT34 Cell Line BV-2 Mus musculus Activity = 95.3 % 23462643
NPT34 Cell Line BV-2 Mus musculus IC50 = 12110 nM 23462643
NPT2 Others Unspecified Inhibition < 30 % 24279769
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 13.02 % 25497988

  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 NPC295492 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 NPC26241
1.0 High Similarity NPC303683
1.0 High Similarity NPC476820
1.0 High Similarity NPC474875
1.0 High Similarity NPC205751
1.0 High Similarity NPC476819
1.0 High Similarity NPC274891
0.9924 High Similarity NPC37250
0.9924 High Similarity NPC278068
0.9924 High Similarity NPC152942
0.9924 High Similarity NPC302857
0.9924 High Similarity NPC219428
0.9924 High Similarity NPC142703
0.9778 High Similarity NPC43158
0.9778 High Similarity NPC258469
0.9778 High Similarity NPC472016
0.9778 High Similarity NPC277315
0.9778 High Similarity NPC192831
0.9704 High Similarity NPC477335
0.9704 High Similarity NPC13818
0.9704 High Similarity NPC206095
0.9704 High Similarity NPC471027
0.9704 High Similarity NPC224389
0.9704 High Similarity NPC297517
0.9704 High Similarity NPC35702
0.9697 High Similarity NPC233350
0.9697 High Similarity NPC70680
0.9697 High Similarity NPC182217
0.9632 High Similarity NPC319628
0.9632 High Similarity NPC303090
0.9632 High Similarity NPC220664
0.9632 High Similarity NPC284948
0.9632 High Similarity NPC37331
0.9621 High Similarity NPC68517
0.9565 High Similarity NPC98356
0.9429 High Similarity NPC192568
0.9429 High Similarity NPC471076
0.9357 High Similarity NPC322660
0.9353 High Similarity NPC477333
0.9338 High Similarity NPC24295
0.9338 High Similarity NPC283560
0.9296 High Similarity NPC306343
0.9281 High Similarity NPC114242
0.9281 High Similarity NPC50221
0.9225 High Similarity NPC42464
0.9167 High Similarity NPC93498
0.9167 High Similarity NPC163883
0.9155 High Similarity NPC43123
0.9111 High Similarity NPC168799
0.9111 High Similarity NPC155209
0.9103 High Similarity NPC19380
0.9103 High Similarity NPC146277
0.9044 High Similarity NPC474895
0.9037 High Similarity NPC25581
0.9037 High Similarity NPC18074
0.9037 High Similarity NPC61
0.9037 High Similarity NPC5419
0.9 High Similarity NPC477277
0.9 High Similarity NPC477278
0.8993 High Similarity NPC156709
0.8993 High Similarity NPC179505
0.898 High Similarity NPC145425
0.8966 High Similarity NPC477334
0.8963 High Similarity NPC198388
0.8951 High Similarity NPC229264
0.8929 High Similarity NPC477279
0.8919 High Similarity NPC473275
0.8919 High Similarity NPC470896
0.8905 High Similarity NPC106406
0.8873 High Similarity NPC226738
0.8873 High Similarity NPC190587
0.8873 High Similarity NPC22176
0.8873 High Similarity NPC121573
0.8857 High Similarity NPC225036
0.8857 High Similarity NPC12218
0.8857 High Similarity NPC75763
0.8857 High Similarity NPC105525
0.8849 High Similarity NPC67349
0.8849 High Similarity NPC279676
0.8836 High Similarity NPC252979
0.8786 High Similarity NPC239943
0.8759 High Similarity NPC472969
0.875 High Similarity NPC473867
0.8731 High Similarity NPC475695
0.8723 High Similarity NPC289690
0.8723 High Similarity NPC288452
0.8716 High Similarity NPC44730
0.8705 High Similarity NPC18646
0.8699 High Similarity NPC75945
0.8696 High Similarity NPC471749
0.869 High Similarity NPC221383
0.869 High Similarity NPC299090
0.869 High Similarity NPC283081
0.869 High Similarity NPC143892
0.8686 High Similarity NPC318799
0.8676 High Similarity NPC226855
0.8649 High Similarity NPC95498
0.8649 High Similarity NPC246566
0.8649 High Similarity NPC75695
0.8643 High Similarity NPC156892
0.863 High Similarity NPC98009
0.863 High Similarity NPC120621
0.863 High Similarity NPC248257
0.863 High Similarity NPC142528
0.8613 High Similarity NPC217052
0.8613 High Similarity NPC329344
0.8613 High Similarity NPC32626
0.8613 High Similarity NPC237506
0.8611 High Similarity NPC474692
0.8611 High Similarity NPC229036
0.8581 High Similarity NPC140151
0.8571 High Similarity NPC98809
0.8571 High Similarity NPC476394
0.8571 High Similarity NPC92117
0.8561 High Similarity NPC156124
0.8561 High Similarity NPC1321
0.8561 High Similarity NPC304929
0.8552 High Similarity NPC108455
0.8552 High Similarity NPC53884
0.8552 High Similarity NPC258671
0.8543 High Similarity NPC134925
0.854 High Similarity NPC94810
0.8531 High Similarity NPC38473
0.8529 High Similarity NPC158654
0.8521 High Similarity NPC220942
0.8514 High Similarity NPC32197
0.8514 High Similarity NPC473091
0.85 High Similarity NPC135127
0.85 High Similarity NPC248150
0.8483 Intermediate Similarity NPC304956
0.8483 Intermediate Similarity NPC473090
0.8477 Intermediate Similarity NPC203757
0.8467 Intermediate Similarity NPC327225
0.8462 Intermediate Similarity NPC471823
0.8456 Intermediate Similarity NPC147192
0.8456 Intermediate Similarity NPC168653
0.8456 Intermediate Similarity NPC251407
0.8452 Intermediate Similarity NPC227297
0.8451 Intermediate Similarity NPC302583
0.8451 Intermediate Similarity NPC100558
0.8451 Intermediate Similarity NPC310252
0.8451 Intermediate Similarity NPC84789
0.8446 Intermediate Similarity NPC478242
0.8444 Intermediate Similarity NPC85565
0.8429 Intermediate Similarity NPC307006
0.8429 Intermediate Similarity NPC477281
0.8429 Intermediate Similarity NPC254398
0.8429 Intermediate Similarity NPC129889
0.8429 Intermediate Similarity NPC19719
0.8429 Intermediate Similarity NPC477280
0.8425 Intermediate Similarity NPC469683
0.8417 Intermediate Similarity NPC264145
0.8417 Intermediate Similarity NPC108553
0.8411 Intermediate Similarity NPC327032
0.8411 Intermediate Similarity NPC194095
0.8411 Intermediate Similarity NPC191046
0.8406 Intermediate Similarity NPC229784
0.8406 Intermediate Similarity NPC477293
0.8406 Intermediate Similarity NPC477294
0.8403 Intermediate Similarity NPC326065
0.8403 Intermediate Similarity NPC9218
0.84 Intermediate Similarity NPC106818
0.8394 Intermediate Similarity NPC476873
0.8392 Intermediate Similarity NPC284409
0.8382 Intermediate Similarity NPC132921
0.838 Intermediate Similarity NPC475111
0.838 Intermediate Similarity NPC470572
0.8369 Intermediate Similarity NPC34293
0.8369 Intermediate Similarity NPC287597
0.8369 Intermediate Similarity NPC886
0.8367 Intermediate Similarity NPC9370
0.8367 Intermediate Similarity NPC287495
0.8366 Intermediate Similarity NPC226759
0.8366 Intermediate Similarity NPC472860
0.8358 Intermediate Similarity NPC472271
0.8358 Intermediate Similarity NPC147654
0.8357 Intermediate Similarity NPC327204
0.8357 Intermediate Similarity NPC473285
0.8357 Intermediate Similarity NPC323379
0.8357 Intermediate Similarity NPC473924
0.8356 Intermediate Similarity NPC469615
0.8356 Intermediate Similarity NPC183824
0.8356 Intermediate Similarity NPC470130
0.8356 Intermediate Similarity NPC160378
0.8355 Intermediate Similarity NPC156624
0.8355 Intermediate Similarity NPC172920
0.8345 Intermediate Similarity NPC253481
0.8345 Intermediate Similarity NPC253722
0.8345 Intermediate Similarity NPC296643
0.8345 Intermediate Similarity NPC31751
0.8344 Intermediate Similarity NPC16024
0.8344 Intermediate Similarity NPC61152
0.8344 Intermediate Similarity NPC44260
0.8344 Intermediate Similarity NPC87403
0.8344 Intermediate Similarity NPC3746
0.8344 Intermediate Similarity NPC205037
0.8333 Intermediate Similarity NPC232880
0.8333 Intermediate Similarity NPC322021
0.8333 Intermediate Similarity NPC243891
0.8333 Intermediate Similarity NPC300329

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC295492 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
0.9632 High Similarity NPD6190 Approved
0.8561 High Similarity NPD230 Phase 1
0.8264 Intermediate Similarity NPD7266 Discontinued
0.8065 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7899 Intermediate Similarity NPD9269 Phase 2
0.7892 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD3882 Suspended
0.7818 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7794 Intermediate Similarity NPD9545 Approved
0.7771 Intermediate Similarity NPD3817 Phase 2
0.7758 Intermediate Similarity NPD7685 Pre-registration
0.7733 Intermediate Similarity NPD4628 Phase 3
0.7716 Intermediate Similarity NPD6166 Phase 2
0.7716 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD2801 Approved
0.7643 Intermediate Similarity NPD1934 Approved
0.7639 Intermediate Similarity NPD3027 Phase 3
0.7622 Intermediate Similarity NPD3818 Discontinued
0.7622 Intermediate Similarity NPD9494 Approved
0.7616 Intermediate Similarity NPD8166 Discontinued
0.7613 Intermediate Similarity NPD1653 Approved
0.7609 Intermediate Similarity NPD9268 Approved
0.7595 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD6797 Phase 2
0.7589 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD7075 Discontinued
0.7547 Intermediate Similarity NPD5402 Approved
0.7545 Intermediate Similarity NPD7251 Discontinued
0.7534 Intermediate Similarity NPD6233 Phase 2
0.7516 Intermediate Similarity NPD6234 Discontinued
0.7484 Intermediate Similarity NPD1512 Approved
0.7483 Intermediate Similarity NPD943 Approved
0.747 Intermediate Similarity NPD7054 Approved
0.747 Intermediate Similarity NPD5844 Phase 1
0.7468 Intermediate Similarity NPD6799 Approved
0.7452 Intermediate Similarity NPD3455 Phase 2
0.7425 Intermediate Similarity NPD7074 Phase 3
0.7425 Intermediate Similarity NPD7472 Approved
0.7421 Intermediate Similarity NPD6801 Discontinued
0.7421 Intermediate Similarity NPD37 Approved
0.7405 Intermediate Similarity NPD4380 Phase 2
0.74 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD7808 Phase 3
0.7391 Intermediate Similarity NPD4965 Approved
0.7391 Intermediate Similarity NPD4966 Approved
0.7391 Intermediate Similarity NPD4967 Phase 2
0.7378 Intermediate Similarity NPD6232 Discontinued
0.7375 Intermediate Similarity NPD1465 Phase 2
0.7375 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD1511 Approved
0.7347 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD3764 Approved
0.7326 Intermediate Similarity NPD8150 Discontinued
0.7325 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD7228 Approved
0.7305 Intermediate Similarity NPD3751 Discontinued
0.7257 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD6386 Approved
0.725 Intermediate Similarity NPD6385 Approved
0.7248 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD1613 Approved
0.7246 Intermediate Similarity NPD7473 Discontinued
0.7239 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD2935 Discontinued
0.723 Intermediate Similarity NPD6798 Discontinued
0.7229 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD8434 Phase 2
0.7222 Intermediate Similarity NPD5353 Approved
0.7215 Intermediate Similarity NPD5403 Approved
0.7212 Intermediate Similarity NPD7199 Phase 2
0.72 Intermediate Similarity NPD447 Suspended
0.72 Intermediate Similarity NPD6355 Discontinued
0.7188 Intermediate Similarity NPD6599 Discontinued
0.7181 Intermediate Similarity NPD4062 Phase 3
0.7169 Intermediate Similarity NPD3787 Discontinued
0.7143 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD826 Approved
0.7133 Intermediate Similarity NPD825 Approved
0.7124 Intermediate Similarity NPD9570 Approved
0.7122 Intermediate Similarity NPD2629 Approved
0.7111 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD8127 Discontinued
0.7097 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD5536 Phase 2
0.7089 Intermediate Similarity NPD5401 Approved
0.7089 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7033 Discontinued
0.7059 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD7819 Suspended
0.7051 Intermediate Similarity NPD4110 Phase 3
0.7051 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD5494 Approved
0.7047 Intermediate Similarity NPD7095 Approved
0.7034 Intermediate Similarity NPD1608 Approved
0.7024 Intermediate Similarity NPD5242 Approved
0.702 Intermediate Similarity NPD4060 Phase 1
0.7007 Intermediate Similarity NPD3021 Approved
0.7007 Intermediate Similarity NPD3022 Approved
0.6981 Remote Similarity NPD2532 Approved
0.6981 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6981 Remote Similarity NPD2533 Approved
0.6981 Remote Similarity NPD2534 Approved
0.6981 Remote Similarity NPD3146 Approved
0.698 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6974 Remote Similarity NPD555 Phase 2
0.6948 Remote Similarity NPD1510 Phase 2
0.6943 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6943 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6936 Remote Similarity NPD6559 Discontinued
0.6933 Remote Similarity NPD7411 Suspended
0.6928 Remote Similarity NPD6653 Approved
0.6923 Remote Similarity NPD1549 Phase 2
0.6918 Remote Similarity NPD4357 Discontinued
0.6913 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6908 Remote Similarity NPD1240 Approved
0.6906 Remote Similarity NPD228 Approved
0.6903 Remote Similarity NPD1551 Phase 2
0.6901 Remote Similarity NPD9493 Approved
0.6899 Remote Similarity NPD3887 Approved
0.6899 Remote Similarity NPD2354 Approved
0.6889 Remote Similarity NPD6535 Approved
0.6889 Remote Similarity NPD6534 Approved
0.6886 Remote Similarity NPD919 Approved
0.6884 Remote Similarity NPD2067 Discontinued
0.6875 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6875 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6865 Remote Similarity NPD7435 Discontinued
0.6863 Remote Similarity NPD4340 Discontinued
0.6861 Remote Similarity NPD1358 Approved
0.6859 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6859 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6849 Remote Similarity NPD1535 Discovery
0.6846 Remote Similarity NPD258 Approved
0.6846 Remote Similarity NPD257 Approved
0.6842 Remote Similarity NPD6663 Approved
0.6842 Remote Similarity NPD259 Phase 1
0.6839 Remote Similarity NPD7038 Approved
0.6839 Remote Similarity NPD7039 Approved
0.6839 Remote Similarity NPD7240 Approved
0.6835 Remote Similarity NPD3750 Approved
0.6832 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6828 Remote Similarity NPD1778 Approved
0.6828 Remote Similarity NPD17 Approved
0.6824 Remote Similarity NPD3926 Phase 2
0.6818 Remote Similarity NPD1607 Approved
0.6815 Remote Similarity NPD4534 Discontinued
0.6805 Remote Similarity NPD1247 Approved
0.6803 Remote Similarity NPD1481 Phase 2
0.68 Remote Similarity NPD5736 Approved
0.6795 Remote Similarity NPD2438 Suspended
0.6795 Remote Similarity NPD2796 Approved
0.6793 Remote Similarity NPD6778 Approved
0.6793 Remote Similarity NPD6782 Approved
0.6793 Remote Similarity NPD6779 Approved
0.6793 Remote Similarity NPD6776 Approved
0.6793 Remote Similarity NPD6781 Approved
0.6793 Remote Similarity NPD6777 Approved
0.6793 Remote Similarity NPD6780 Approved
0.6781 Remote Similarity NPD3496 Discontinued
0.6776 Remote Similarity NPD7699 Phase 2
0.6776 Remote Similarity NPD7700 Phase 2
0.6774 Remote Similarity NPD7097 Phase 1
0.6772 Remote Similarity NPD1652 Phase 2
0.677 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6761 Remote Similarity NPD690 Clinical (unspecified phase)
0.6757 Remote Similarity NPD2983 Phase 2
0.6757 Remote Similarity NPD2982 Phase 2
0.6752 Remote Similarity NPD5763 Approved
0.6752 Remote Similarity NPD5762 Approved
0.6748 Remote Similarity NPD3687 Approved
0.6748 Remote Similarity NPD3686 Approved
0.6747 Remote Similarity NPD8455 Phase 2
0.6743 Remote Similarity NPD8368 Discontinued
0.6738 Remote Similarity NPD8320 Phase 1
0.6738 Remote Similarity NPD8319 Approved
0.6735 Remote Similarity NPD422 Phase 1
0.6733 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6733 Remote Similarity NPD5647 Approved
0.6715 Remote Similarity NPD5048 Discontinued
0.6713 Remote Similarity NPD4198 Discontinued
0.6711 Remote Similarity NPD3225 Approved
0.6709 Remote Similarity NPD5958 Discontinued
0.6709 Remote Similarity NPD2424 Discontinued
0.6707 Remote Similarity NPD3226 Approved
0.6707 Remote Similarity NPD8443 Clinical (unspecified phase)
0.669 Remote Similarity NPD1894 Discontinued
0.6689 Remote Similarity NPD9569 Approved
0.6689 Remote Similarity NPD2981 Phase 2
0.6689 Remote Similarity NPD3018 Phase 2
0.6688 Remote Similarity NPD6100 Approved
0.6688 Remote Similarity NPD6099 Approved
0.6686 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8312 Approved
0.6667 Remote Similarity NPD1203 Approved
0.6667 Remote Similarity NPD2797 Approved

Structure

External Identifiers

PubChem CID   6476139
ChEMBL   CHEMBL416955
ZINC  

Physicochemical Properties

Molecular Weight:  368.11
ALogP:  -1.9452
MLogP:  2.34
XLogP:  -0.126
# Rotatable Bonds:  12
Polar Surface Area:  153.75
# H-Bond Aceptor:  7
# H-Bond Donor:  5
# Rings:  2
# Heavy Atoms:  26

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General Info & Identifiers & Properties  
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Biological Activities  
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