Natural Product: NPC98179

Natural Product ID:  NPC98179
Common Name:   Marmesin
IUPAC Name:   (2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Synonyms:   Marmesin
Molecular Formula:   C14H14O4
Standard InCHIKey:  FWYSBEAFFPBAQU-LBPRGKRZSA-N
Standard InCHI:  InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1
Canonical SMILES:  O=c1ccc2c(o1)cc1c(c2)C[C@H](O1)C(O)(C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TCMID*
NPO18129 Notopterygii rhizoma et radix NA NA NA TCMSP*
NPO7279 Ferulago capillaries Species Apiaceae Eukaryota TCMID*
NPO29710 Saposhnikoviae radix NA NA NA TCMSP*
NPO29700 Peucedani radix NA NA NA TCMSP*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO29661 Glehniae radix NA NA NA TCMSP*
NPO29558 Anemarrhenae rhizoma NA NA NA TCMSP*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TCM_Taiwan*
NPO11438 Angelica gigas Species Apiaceae Eukaryota HerDing*
NPO12746 Pleurospermum rivulorum Species Apiaceae Eukaryota HerDing*
NPO17866 Peucedanum rubricaule Species Apiaceae Eukaryota TCMID*
NPO15394 Angelica decursiva Species Apiaceae Eukaryota HerDing*
NPO5045 Aegle marmelos Species Rutaceae Eukaryota TCMID*
NPO17729 Tephrosia toxicaria Species Geometridae Eukaryota HerDing*
NPO2655 Heracleum rapula Species Apiaceae Eukaryota TCMID*
NPO17866 Peucedanum rubricaule Species Apiaceae Eukaryota TCM_Taiwan*
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota TCMID*
NPO17866 Peucedanum rubricaule Species Apiaceae Eukaryota HerDing*
NPO28975 Thamnosma rhodesica Species Rutaceae Eukaryota TCMID*
NPO23235 Zanthoxylum arnottianum Species Rutaceae Eukaryota HerDing*
NPO12746 Pleurospermum rivulorum Species Apiaceae Eukaryota TCMID*
NPO24205 Peucedanum terebinthaceum Species Apiaceae Eukaryota HerDing*
NPO26741 Anemarrhena asphodeloides Species Asparagaceae Eukaryota TCMID*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TCM_Taiwan*
NPO23235 Zanthoxylum arnottianum Species Rutaceae Eukaryota TCMID*
NPO2629 Cystoseira caespitosa Species Sargassaceae Eukaryota UNPD*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota HerDing*
NPO25702 Angelica pachycarpa Species Apiaceae Eukaryota TCMID*
NPO5495 Broussonetia papyrifera Species Moraceae Eukaryota Whole Plants Shawnee National Forest, Harrisburg, IL, US PMID[11678652]
NPO25702 Angelica pachycarpa Species Apiaceae Eukaryota HerDing*
NPO15394 Angelica decursiva Species Apiaceae Eukaryota TCMID*
NPO8369 Antiaris toxicaria Species Moraceae Eukaryota trunk bark Yunnan, China PMID[24582402]
NPO2655 Heracleum rapula Species Apiaceae Eukaryota HerDing*
NPO24205 Peucedanum terebinthaceum Species Apiaceae Eukaryota TCMID*
NPO1100 Croton joufra Species Euphorbiaceae Eukaryota UNPD*
NPO26741 Anemarrhena asphodeloides Species Asparagaceae Eukaryota HerDing*
NPO17729 Tephrosia toxicaria Species Geometridae Eukaryota TCMID*
NPO16614 Zanthoxylum spinosum Species Rutaceae Eukaryota UNPD*
NPO28975 Thamnosma rhodesica Species Rutaceae Eukaryota HerDing*
NPO5495 Broussonetia papyrifera Species Moraceae Eukaryota TCMID*
NPO8067 Pelargonium crispum Species Geraniaceae Eukaryota UNPD*
NPO30526 Notopterygium incisum NA NA NA HerDing*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TCMID*
NPO24079 Eucalyptus laevopinea Species Myrtaceae Eukaryota UNPD*
NPO5045 Aegle marmelos Species Rutaceae Eukaryota TCM_Taiwan*
NPO11302 Hymenidium lindleyanum Species Apiaceae Eukaryota TCMID*
NPO1117 Hypholoma capnoides Species Strophariaceae Eukaryota UNPD*
NPO5045 Aegle marmelos Species Rutaceae Eukaryota HerDing*
NPO24248.1 Lactarius deliciosus var. deterrimus Varieties Russulaceae Eukaryota UNPD*
NPO9366 Rosa transmorrisonensis Species Rosaceae Eukaryota UNPD*
NPO5495 Broussonetia papyrifera Species Moraceae Eukaryota HerDing*
NPO3750 Solidago missouriensis Species Asteraceae Eukaryota UNPD*
NPO7279 Ferulago capillaries Species Apiaceae Eukaryota HerDing*
NPO6128 Hunteria eburnea Species Apocynaceae Eukaryota UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO854 Fucus serratus Species Fucaceae Eukaryota UNPD*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO4812 Cynometra hankei Species Fabaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO7614 Laurus camphora Species Lauraceae Eukaryota UNPD*
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota TM-MC*
NPO1538 Lepechinia hastata Species Lamiaceae Eukaryota UNPD*
NPO16675 Peucedanum japonicum Species Apiaceae Eukaryota TM-MC*
NPO12028 Acori tataninowii rhizoma NA NA NA TCMSP*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 67000 nM 11374978
NPT441 Individual Protein Cytochrome P450 19A1 Homo sapiens IC50 > 40 ug/ml 11678652
NPT740 Individual Protein Beta-secretase 1 Homo sapiens IC50 > 500000 nM 22222157
NPT740 Individual Protein Beta-secretase 1 Homo sapiens Inhibition = 2.9 % 22222157
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 89.64 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 103.86 % 23571415
NPT83 Cell Line MCF7 Homo sapiens ED50 > 20 ug/ml 24582402
NPT81 Cell Line A549 Homo sapiens ED50 > 20 ug/ml 24582402

  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 NPC98179 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 NPC253574
0.9922 High Similarity NPC33986
0.9542 High Similarity NPC188380
0.9542 High Similarity NPC224543
0.9542 High Similarity NPC78746
0.9538 High Similarity NPC62366
0.9535 High Similarity NPC14248
0.947 High Similarity NPC184861
0.947 High Similarity NPC225106
0.947 High Similarity NPC281014
0.947 High Similarity NPC153818
0.947 High Similarity NPC294456
0.947 High Similarity NPC232246
0.947 High Similarity NPC212124
0.947 High Similarity NPC155963
0.9466 High Similarity NPC472525
0.9462 High Similarity NPC222036
0.9462 High Similarity NPC7526
0.9462 High Similarity NPC163557
0.9398 High Similarity NPC151946
0.9394 High Similarity NPC38099
0.9394 High Similarity NPC26954
0.9389 High Similarity NPC204353
0.9389 High Similarity NPC180716
0.9389 High Similarity NPC224475
0.9389 High Similarity NPC307412
0.9389 High Similarity NPC213173
0.9389 High Similarity NPC326600
0.9389 High Similarity NPC55149
0.9389 High Similarity NPC50896
0.9375 High Similarity NPC185066
0.937 High Similarity NPC188327
0.937 High Similarity NPC234109
0.9328 High Similarity NPC312881
0.9308 High Similarity NPC29734
0.9259 High Similarity NPC195357
0.9259 High Similarity NPC152771
0.9259 High Similarity NPC287286
0.9254 High Similarity NPC279573
0.9248 High Similarity NPC283331
0.9237 High Similarity NPC194277
0.9231 High Similarity NPC113098
0.9167 High Similarity NPC31849
0.9167 High Similarity NPC167111
0.9167 High Similarity NPC469449
0.9167 High Similarity NPC207002
0.9167 High Similarity NPC133956
0.9167 High Similarity NPC296624
0.9167 High Similarity NPC318400
0.9167 High Similarity NPC471910
0.916 High Similarity NPC267336
0.916 High Similarity NPC272650
0.9154 High Similarity NPC168710
0.9137 High Similarity NPC296377
0.9111 High Similarity NPC211110
0.9098 High Similarity NPC84894
0.9098 High Similarity NPC287182
0.9098 High Similarity NPC195343
0.9098 High Similarity NPC47163
0.9098 High Similarity NPC164269
0.9098 High Similarity NPC319859
0.9098 High Similarity NPC267412
0.9098 High Similarity NPC166672
0.9098 High Similarity NPC198381
0.9098 High Similarity NPC18804
0.9098 High Similarity NPC260265
0.9098 High Similarity NPC100986
0.9098 High Similarity NPC74655
0.9098 High Similarity NPC127888
0.9084 High Similarity NPC80170
0.9077 High Similarity NPC199204
0.9071 High Similarity NPC169510
0.9058 High Similarity NPC471824
0.9037 High Similarity NPC471068
0.9037 High Similarity NPC471069
0.903 High Similarity NPC471625
0.903 High Similarity NPC472424
0.903 High Similarity NPC471909
0.903 High Similarity NPC281241
0.903 High Similarity NPC86892
0.903 High Similarity NPC469675
0.8993 High Similarity NPC85624
0.8993 High Similarity NPC469701
0.8992 High Similarity NPC244495
0.8992 High Similarity NPC93219
0.8984 High Similarity NPC472518
0.8971 High Similarity NPC471071
0.8971 High Similarity NPC471072
0.8971 High Similarity NPC471070
0.8963 High Similarity NPC476455
0.8963 High Similarity NPC128529
0.8963 High Similarity NPC471630
0.8963 High Similarity NPC55615
0.8963 High Similarity NPC160727
0.8963 High Similarity NPC177281
0.8963 High Similarity NPC149320
0.8963 High Similarity NPC283019
0.8923 High Similarity NPC471826
0.8921 High Similarity NPC471763
0.8915 High Similarity NPC73413
0.8915 High Similarity NPC201667
0.8915 High Similarity NPC111347
0.8906 High Similarity NPC96286
0.8906 High Similarity NPC248429
0.8865 High Similarity NPC87950
0.8865 High Similarity NPC471764
0.8855 High Similarity NPC258567
0.8855 High Similarity NPC224774
0.8855 High Similarity NPC243688
0.8855 High Similarity NPC121740
0.8846 High Similarity NPC471828
0.8846 High Similarity NPC471827
0.8837 High Similarity NPC273772
0.8837 High Similarity NPC154176
0.8837 High Similarity NPC109675
0.8837 High Similarity NPC173350
0.8837 High Similarity NPC290605
0.8828 High Similarity NPC144418
0.8788 High Similarity NPC469453
0.8788 High Similarity NPC472519
0.8769 High Similarity NPC27671
0.876 High Similarity NPC13007
0.876 High Similarity NPC257188
0.8759 High Similarity NPC14697
0.875 High Similarity NPC163200
0.874 High Similarity NPC281356
0.874 High Similarity NPC298796
0.8723 High Similarity NPC76657
0.8705 High Similarity NPC279851
0.8705 High Similarity NPC300611
0.8705 High Similarity NPC215512
0.8705 High Similarity NPC472520
0.8705 High Similarity NPC476442
0.869 High Similarity NPC470264
0.8682 High Similarity NPC52247
0.8682 High Similarity NPC187868
0.8676 High Similarity NPC131950
0.8676 High Similarity NPC92830
0.8667 High Similarity NPC123954
0.8662 High Similarity NPC205361
0.8661 High Similarity NPC152306
0.8661 High Similarity NPC265547
0.8661 High Similarity NPC96705
0.8657 High Similarity NPC32463
0.8626 High Similarity NPC291899
0.8623 High Similarity NPC131198
0.8605 High Similarity NPC302107
0.8605 High Similarity NPC235190
0.8605 High Similarity NPC180006
0.8603 High Similarity NPC1220
0.8603 High Similarity NPC291551
0.8603 High Similarity NPC205797
0.8603 High Similarity NPC469965
0.8603 High Similarity NPC141822
0.8603 High Similarity NPC241165
0.8603 High Similarity NPC2363
0.8603 High Similarity NPC142563
0.8592 High Similarity NPC476450
0.8582 High Similarity NPC229916
0.8582 High Similarity NPC119640
0.8582 High Similarity NPC236419
0.8582 High Similarity NPC183646
0.8571 High Similarity NPC138149
0.8571 High Similarity NPC473993
0.8561 High Similarity NPC13067
0.8561 High Similarity NPC270256
0.8561 High Similarity NPC278600
0.8561 High Similarity NPC221046
0.8561 High Similarity NPC168259
0.8561 High Similarity NPC202594
0.8561 High Similarity NPC144512
0.8561 High Similarity NPC37428
0.8561 High Similarity NPC35501
0.8561 High Similarity NPC232692
0.8561 High Similarity NPC47040
0.8561 High Similarity NPC137262
0.8552 High Similarity NPC103116
0.8551 High Similarity NPC262585
0.8551 High Similarity NPC20829
0.8551 High Similarity NPC167517
0.8551 High Similarity NPC18189
0.8551 High Similarity NPC103409
0.855 High Similarity NPC50720
0.855 High Similarity NPC315807
0.854 High Similarity NPC117048
0.854 High Similarity NPC124085
0.8529 High Similarity NPC2190
0.8529 High Similarity NPC19157
0.8529 High Similarity NPC469956
0.8529 High Similarity NPC175159
0.8527 High Similarity NPC247553
0.8521 High Similarity NPC476457
0.8519 High Similarity NPC19242
0.8511 High Similarity NPC93640
0.8511 High Similarity NPC20631
0.8507 High Similarity NPC139595
0.8507 High Similarity NPC293642
0.8507 High Similarity NPC60704
0.8504 High Similarity NPC128633
0.8489 Intermediate Similarity NPC148835

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC98179 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
0.8682 High Similarity NPD422 Phase 1
0.8603 High Similarity NPD5124 Phase 1
0.8603 High Similarity NPD5123 Clinical (unspecified phase)
0.844 Intermediate Similarity NPD1652 Phase 2
0.8079 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD1653 Approved
0.7986 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7971 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7955 Intermediate Similarity NPD1548 Phase 1
0.7931 Intermediate Similarity NPD1243 Approved
0.7922 Intermediate Similarity NPD7075 Discontinued
0.7919 Intermediate Similarity NPD920 Approved
0.7895 Intermediate Similarity NPD6801 Discontinued
0.7891 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD1613 Approved
0.7862 Intermediate Similarity NPD2424 Discontinued
0.7857 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD1296 Phase 2
0.7852 Intermediate Similarity NPD1610 Phase 2
0.7838 Intermediate Similarity NPD6799 Approved
0.7785 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7756 Intermediate Similarity NPD919 Approved
0.7755 Intermediate Similarity NPD3750 Approved
0.7746 Intermediate Similarity NPD4060 Phase 1
0.7714 Intermediate Similarity NPD4908 Phase 1
0.7714 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6355 Discontinued
0.7667 Intermediate Similarity NPD5401 Approved
0.7656 Intermediate Similarity NPD1358 Approved
0.7656 Intermediate Similarity NPD290 Approved
0.7655 Intermediate Similarity NPD3748 Approved
0.7647 Intermediate Similarity NPD6599 Discontinued
0.7647 Intermediate Similarity NPD4380 Phase 2
0.7643 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7638 Intermediate Similarity NPD9697 Approved
0.7635 Intermediate Similarity NPD4628 Phase 3
0.7635 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD1549 Phase 2
0.7613 Intermediate Similarity NPD7819 Suspended
0.7606 Intermediate Similarity NPD6798 Discontinued
0.7603 Intermediate Similarity NPD2796 Approved
0.7603 Intermediate Similarity NPD1551 Phase 2
0.7597 Intermediate Similarity NPD7411 Suspended
0.7591 Intermediate Similarity NPD1091 Approved
0.7568 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD5403 Approved
0.7554 Intermediate Similarity NPD3225 Approved
0.7554 Intermediate Similarity NPD8651 Approved
0.7551 Intermediate Similarity NPD5763 Approved
0.7551 Intermediate Similarity NPD5762 Approved
0.7551 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.755 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7535 Intermediate Similarity NPD3027 Phase 3
0.7534 Intermediate Similarity NPD1510 Phase 2
0.7534 Intermediate Similarity NPD7033 Discontinued
0.7516 Intermediate Similarity NPD7768 Phase 2
0.7516 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2797 Approved
0.75 Intermediate Similarity NPD5691 Approved
0.75 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD5844 Phase 1
0.7468 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7462 Intermediate Similarity NPD2684 Approved
0.7455 Intermediate Similarity NPD6559 Discontinued
0.7452 Intermediate Similarity NPD3817 Phase 2
0.7448 Intermediate Similarity NPD4340 Discontinued
0.7445 Intermediate Similarity NPD4626 Approved
0.7436 Intermediate Similarity NPD1934 Approved
0.7434 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD6002 Phase 3
0.7432 Intermediate Similarity NPD6004 Phase 3
0.7432 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD6005 Phase 3
0.7417 Intermediate Similarity NPD5058 Phase 3
0.7415 Intermediate Similarity NPD4308 Phase 3
0.7413 Intermediate Similarity NPD4625 Phase 3
0.741 Intermediate Similarity NPD9717 Approved
0.7405 Intermediate Similarity NPD3882 Suspended
0.74 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD3496 Discontinued
0.7386 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD1240 Approved
0.7372 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD7843 Approved
0.7368 Intermediate Similarity NPD5535 Approved
0.7361 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD3268 Approved
0.7358 Intermediate Similarity NPD3749 Approved
0.7357 Intermediate Similarity NPD4749 Approved
0.7347 Intermediate Similarity NPD7097 Phase 1
0.7342 Intermediate Similarity NPD5402 Approved
0.7333 Intermediate Similarity NPD7157 Approved
0.7329 Intermediate Similarity NPD7199 Phase 2
0.732 Intermediate Similarity NPD2533 Approved
0.732 Intermediate Similarity NPD2534 Approved
0.732 Intermediate Similarity NPD2532 Approved
0.7319 Intermediate Similarity NPD1778 Approved
0.7317 Intermediate Similarity NPD3818 Discontinued
0.731 Intermediate Similarity NPD6233 Phase 2
0.7308 Intermediate Similarity NPD3134 Approved
0.7297 Intermediate Similarity NPD2799 Discontinued
0.7297 Intermediate Similarity NPD5588 Approved
0.7292 Intermediate Similarity NPD7095 Approved
0.7279 Intermediate Similarity NPD1607 Approved
0.7273 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD5494 Approved
0.726 Intermediate Similarity NPD4307 Phase 2
0.726 Intermediate Similarity NPD4140 Approved
0.7255 Intermediate Similarity NPD1511 Approved
0.7254 Intermediate Similarity NPD1203 Approved
0.7254 Intermediate Similarity NPD3267 Approved
0.7254 Intermediate Similarity NPD987 Approved
0.7254 Intermediate Similarity NPD3266 Approved
0.7248 Intermediate Similarity NPD2935 Discontinued
0.7241 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD2313 Discontinued
0.7239 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD2415 Discontinued
0.723 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD4536 Approved
0.723 Intermediate Similarity NPD4538 Approved
0.7222 Intermediate Similarity NPD1247 Approved
0.7222 Intermediate Similarity NPD6832 Phase 2
0.7219 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD2800 Approved
0.7215 Intermediate Similarity NPD37 Approved
0.7214 Intermediate Similarity NPD1611 Approved
0.7211 Intermediate Similarity NPD447 Suspended
0.7211 Intermediate Similarity NPD230 Phase 1
0.7205 Intermediate Similarity NPD6234 Discontinued
0.7202 Intermediate Similarity NPD7549 Discontinued
0.72 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD4062 Phase 3
0.719 Intermediate Similarity NPD6667 Approved
0.719 Intermediate Similarity NPD6666 Approved
0.7188 Intermediate Similarity NPD4966 Approved
0.7188 Intermediate Similarity NPD4967 Phase 2
0.7188 Intermediate Similarity NPD4965 Approved
0.7185 Intermediate Similarity NPD1241 Discontinued
0.7178 Intermediate Similarity NPD7229 Phase 3
0.717 Intermediate Similarity NPD1465 Phase 2
0.717 Intermediate Similarity NPD8455 Phase 2
0.717 Intermediate Similarity NPD2801 Approved
0.7163 Intermediate Similarity NPD1608 Approved
0.7161 Intermediate Similarity NPD1512 Approved
0.7153 Intermediate Similarity NPD2861 Phase 2
0.7134 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD1048 Approved
0.7115 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD1019 Discontinued
0.7083 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD5960 Phase 3
0.7051 Intermediate Similarity NPD5049 Phase 3
0.7051 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.705 Intermediate Similarity NPD1894 Discontinued
0.705 Intermediate Similarity NPD9545 Approved
0.7047 Intermediate Similarity NPD6653 Approved
0.7034 Intermediate Similarity NPD3018 Phase 2
0.7032 Intermediate Similarity NPD7212 Phase 2
0.7032 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD7213 Phase 3
0.702 Intermediate Similarity NPD4477 Approved
0.702 Intermediate Similarity NPD6032 Approved
0.702 Intermediate Similarity NPD4476 Approved
0.7019 Intermediate Similarity NPD4288 Approved
0.7012 Intermediate Similarity NPD8127 Discontinued
0.7007 Intermediate Similarity NPD3764 Approved
0.7007 Intermediate Similarity NPD411 Approved
0.7 Intermediate Similarity NPD940 Approved
0.7 Intermediate Similarity NPD4433 Discontinued
0.7 Intermediate Similarity NPD846 Approved
0.6988 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6988 Remote Similarity NPD6166 Phase 2
0.6988 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6987 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6987 Remote Similarity NPD7447 Phase 1
0.6982 Remote Similarity NPD5953 Discontinued
0.6982 Remote Similarity NPD7993 Clinical (unspecified phase)
0.698 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6974 Remote Similarity NPD7266 Discontinued
0.697 Remote Similarity NPD6232 Discontinued
0.6966 Remote Similarity NPD3691 Phase 2
0.6966 Remote Similarity NPD3690 Phase 2
0.6964 Remote Similarity NPD7054 Approved
0.6957 Remote Similarity NPD6671 Approved
0.695 Remote Similarity NPD17 Approved
0.6948 Remote Similarity NPD4110 Phase 3
0.6948 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6948 Remote Similarity NPD7466 Approved
0.6948 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6944 Remote Similarity NPD6696 Suspended
0.6944 Remote Similarity NPD1283 Approved
0.6943 Remote Similarity NPD6273 Approved
0.6937 Remote Similarity NPD6072 Discontinued

Structure

External Identifiers

PubChem CID   334704
ChEMBL   CHEMBL442813
ZINC  

Physicochemical Properties

Molecular Weight:  246.09
ALogP:  0.2617
MLogP:  2.56
XLogP:  2.093
# Rotatable Bonds:  4
Polar Surface Area:  55.76
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  18

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