Natural Product: NPC103409

Natural Product ID:  NPC103409
Common Name:   Skimmin
IUPAC Name:   7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Synonyms:   Skimmin
Molecular Formula:   C15H16O8
Standard InCHIKey:  VPAOSFFTKWUGAD-TVKJYDDYSA-N
Standard InCHI:  InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3)[C@@H]([C@H]([C@@H]1O)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
NPO6906 Atalantia wightii Species Rutaceae Eukaryota UNPD*
NPO5470 Cynoglossum amabile Species Boraginaceae Eukaryota UNPD*
NPO13647 Calcarisporium thermophilum Species NA Eukaryota UNPD*
NPO29700 Peucedani radix NA NA NA TCMSP*
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota TM-MC*
NPO7521 Hygrophorus eburneus Species Hygrophoraceae Eukaryota UNPD*
NPO1759 Alexandrium excavatum Species Gonyaulacaceae Eukaryota UNPD*
NPO10211 Pajanelia multijuga NA NA NA UNPD*
NPO16801 Cota tinctoria Species Asteraceae Eukaryota UNPD*
NPO13848 Amomum daniellii Species Zingiberaceae Eukaryota UNPD*
NPO13278 Strychnos spinosa Species Loganiaceae Eukaryota UNPD*
NPO33433 adina cordifolia Species Rubiaceae Eukaryota Root barks PMID[18675491]
NPO15650 Picea neoveitchii Species Pinaceae Eukaryota PMID[22901896]
NPO15145 Rauvolfia salicifolia Species Apocynaceae Eukaryota UNPD*
NPO14947 Lathyrus tingitanus Species Fabaceae Eukaryota UNPD*
NPO3965 Corynanthe pachyceras Species Rubiaceae Eukaryota UNPD*
NPO1109 Corydalis persica Species Papaveraceae Eukaryota UNPD*
NPO10098 Glycosmis pseudoracemosa Species Rutaceae Eukaryota UNPD*
NPO12487 Juniperus horizontalis Species Cupressaceae Eukaryota UNPD*
NPO14526 Plectranthus caninus Species Lamiaceae Eukaryota UNPD*
NPO23772 Tetradium glabrifolium Species Rutaceae Eukaryota UNPD*
NPO21329 Ilyonectria destructans Species Nectriaceae Eukaryota UNPD*
NPO23754 Solanum aculeatissimum Species Solanaceae Eukaryota UNPD*
NPO18873.2 Salmonella enterica subsp. enterica serovar bovismorbificans Subspecies Enterobacteriaceae Bacteria UNPD*
NPO15329 Rhizoplaca baranowii Species Lecanoraceae Eukaryota UNPD*
NPO2330 Alchornea cordifolia Species Euphorbiaceae Eukaryota UNPD*
NPO3761 Plectosphaerella cucumerina Species Plectosphaerellaceae Eukaryota UNPD*
NPO11430 Inula grantioides Species Asteraceae Eukaryota UNPD*
NPO12339 Daphne feddei Species Thymelaeaceae Eukaryota UNPD*
NPO15233 Balanophora japonica Species Balanophoraceae Eukaryota UNPD*
NPO5398 Peucedanum oroselinum Species Apiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT992 Organism Entamoeba histolytica Entamoeba histolytica IC50 = 4150000 nM 18675491
NPT1493 Organism Ceratocystis paradoxa Ceratocystis paradoxa GI = 5.8 % 22901896
NPT1494 Organism Alternaria mali Alternaria mali GI = 0 % 22901896
NPT722 Organism Athelia rolfsii Athelia rolfsii GI = 24.1 % 22901896
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea GI = 0 % 22901896
NPT2 Others Unspecified GI = 15.3 % 22901896
NPT1493 Organism Ceratocystis paradoxa Ceratocystis paradoxa IZ = 1.5 mm 22901896
NPT1494 Organism Alternaria mali Alternaria mali IZ = 0 mm 22901896
NPT722 Organism Athelia rolfsii Athelia rolfsii IZ = 2.8 mm 22901896
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea IZ = 0 mm 22901896

  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 NPC103409 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
0.9699 High Similarity NPC215512
0.9699 High Similarity NPC476442
0.9416 High Similarity NPC85624
0.9281 High Similarity NPC471764
0.9281 High Similarity NPC87950
0.9281 High Similarity NPC52740
0.9281 High Similarity NPC41844
0.9281 High Similarity NPC296377
0.9275 High Similarity NPC226722
0.9254 High Similarity NPC166180
0.9231 High Similarity NPC146540
0.9214 High Similarity NPC169510
0.9214 High Similarity NPC96294
0.916 High Similarity NPC295970
0.9149 High Similarity NPC206264
0.9149 High Similarity NPC313334
0.9149 High Similarity NPC212670
0.9085 High Similarity NPC114740
0.9078 High Similarity NPC93924
0.9044 High Similarity NPC153818
0.9044 High Similarity NPC232246
0.903 High Similarity NPC469449
0.9023 High Similarity NPC29734
0.9021 High Similarity NPC213197
0.8971 High Similarity NPC224543
0.8971 High Similarity NPC188380
0.8971 High Similarity NPC78746
0.8958 High Similarity NPC476352
0.8958 High Similarity NPC215060
0.8951 High Similarity NPC100818
0.8947 High Similarity NPC113098
0.8921 High Similarity NPC145319
0.8913 High Similarity NPC312881
0.8905 High Similarity NPC184861
0.8905 High Similarity NPC225106
0.8905 High Similarity NPC281014
0.8905 High Similarity NPC294456
0.8905 High Similarity NPC212124
0.8897 High Similarity NPC185778
0.8881 High Similarity NPC272650
0.8881 High Similarity NPC267336
0.8864 High Similarity NPC258567
0.8864 High Similarity NPC121740
0.8864 High Similarity NPC224774
0.8849 High Similarity NPC195357
0.8849 High Similarity NPC152771
0.8849 High Similarity NPC287286
0.8841 High Similarity NPC279573
0.8832 High Similarity NPC26954
0.8832 High Similarity NPC38099
0.8828 High Similarity NPC53587
0.8828 High Similarity NPC470264
0.8828 High Similarity NPC176186
0.8828 High Similarity NPC169404
0.8824 High Similarity NPC326600
0.8824 High Similarity NPC62366
0.8824 High Similarity NPC50896
0.8824 High Similarity NPC204353
0.8806 High Similarity NPC474491
0.8797 High Similarity NPC469453
0.8794 High Similarity NPC292443
0.8768 High Similarity NPC155963
0.8768 High Similarity NPC124149
0.8767 High Similarity NPC150442
0.8759 High Similarity NPC472525
0.8732 High Similarity NPC469701
0.8732 High Similarity NPC476450
0.8716 High Similarity NPC284810
0.8705 High Similarity NPC211110
0.8705 High Similarity NPC151946
0.8692 High Similarity NPC226712
0.8686 High Similarity NPC180716
0.8686 High Similarity NPC213173
0.8686 High Similarity NPC224475
0.8671 High Similarity NPC107120
0.8671 High Similarity NPC199928
0.8671 High Similarity NPC74320
0.8662 High Similarity NPC232228
0.8652 High Similarity NPC245219
0.8652 High Similarity NPC31081
0.8643 High Similarity NPC210478
0.8633 High Similarity NPC262328
0.8633 High Similarity NPC87777
0.8623 High Similarity NPC33986
0.8621 High Similarity NPC106138
0.8615 High Similarity NPC163200
0.8615 High Similarity NPC469412
0.8615 High Similarity NPC198734
0.8615 High Similarity NPC269242
0.8613 High Similarity NPC318400
0.8613 High Similarity NPC133956
0.8613 High Similarity NPC471910
0.8613 High Similarity NPC296624
0.8613 High Similarity NPC207002
0.8613 High Similarity NPC31849
0.8613 High Similarity NPC167111
0.8611 High Similarity NPC15577
0.8592 High Similarity NPC469367
0.8582 High Similarity NPC300611
0.8582 High Similarity NPC186406
0.8582 High Similarity NPC80098
0.8562 High Similarity NPC107197
0.8561 High Similarity NPC37468
0.8561 High Similarity NPC186418
0.8552 High Similarity NPC302989
0.8552 High Similarity NPC478237
0.8552 High Similarity NPC218685
0.8552 High Similarity NPC187398
0.8552 High Similarity NPC476348
0.8551 High Similarity NPC47163
0.8551 High Similarity NPC98179
0.8551 High Similarity NPC84894
0.8551 High Similarity NPC195343
0.8551 High Similarity NPC267412
0.8551 High Similarity NPC319859
0.8551 High Similarity NPC287182
0.8551 High Similarity NPC100986
0.8551 High Similarity NPC166672
0.8551 High Similarity NPC18804
0.8551 High Similarity NPC198381
0.8551 High Similarity NPC253574
0.8551 High Similarity NPC260265
0.8551 High Similarity NPC74655
0.8551 High Similarity NPC164269
0.8551 High Similarity NPC127888
0.855 High Similarity NPC11724
0.854 High Similarity NPC269421
0.854 High Similarity NPC194277
0.854 High Similarity NPC303422
0.854 High Similarity NPC26080
0.854 High Similarity NPC85799
0.854 High Similarity NPC165686
0.8538 High Similarity NPC60589
0.8538 High Similarity NPC469708
0.8531 High Similarity NPC471824
0.8511 High Similarity NPC202700
0.8503 High Similarity NPC213723
0.85 High Similarity NPC471069
0.85 High Similarity NPC471068
0.8493 Intermediate Similarity NPC287294
0.8489 Intermediate Similarity NPC281241
0.8489 Intermediate Similarity NPC472424
0.8489 Intermediate Similarity NPC86892
0.8489 Intermediate Similarity NPC471909
0.8489 Intermediate Similarity NPC471625
0.8485 Intermediate Similarity NPC52097
0.8483 Intermediate Similarity NPC476347
0.8478 Intermediate Similarity NPC294166
0.8478 Intermediate Similarity NPC115022
0.8478 Intermediate Similarity NPC2363
0.8477 Intermediate Similarity NPC43761
0.8473 Intermediate Similarity NPC302107
0.8473 Intermediate Similarity NPC235190
0.8473 Intermediate Similarity NPC476872
0.8473 Intermediate Similarity NPC180006
0.8467 Intermediate Similarity NPC121376
0.8462 Intermediate Similarity NPC478239
0.8462 Intermediate Similarity NPC138212
0.8462 Intermediate Similarity NPC281356
0.8462 Intermediate Similarity NPC298796
0.8456 Intermediate Similarity NPC168710
0.8456 Intermediate Similarity NPC253595
0.8451 Intermediate Similarity NPC210192
0.8451 Intermediate Similarity NPC108674
0.8444 Intermediate Similarity NPC288416
0.844 Intermediate Similarity NPC471072
0.844 Intermediate Similarity NPC164148
0.844 Intermediate Similarity NPC471070
0.844 Intermediate Similarity NPC100389
0.844 Intermediate Similarity NPC43500
0.844 Intermediate Similarity NPC471071
0.8435 Intermediate Similarity NPC21184
0.8435 Intermediate Similarity NPC120426
0.8435 Intermediate Similarity NPC205727
0.8435 Intermediate Similarity NPC294522
0.8433 Intermediate Similarity NPC126991
0.8433 Intermediate Similarity NPC83218
0.8433 Intermediate Similarity NPC470510
0.8429 Intermediate Similarity NPC160727
0.8429 Intermediate Similarity NPC128529
0.8429 Intermediate Similarity NPC55615
0.8429 Intermediate Similarity NPC177281
0.8429 Intermediate Similarity NPC476455
0.8429 Intermediate Similarity NPC471630
0.8429 Intermediate Similarity NPC283019
0.8429 Intermediate Similarity NPC149320
0.8417 Intermediate Similarity NPC471029
0.8417 Intermediate Similarity NPC34456
0.8417 Intermediate Similarity NPC309953
0.8417 Intermediate Similarity NPC188555
0.8417 Intermediate Similarity NPC130496
0.8414 Intermediate Similarity NPC205361
0.8411 Intermediate Similarity NPC43638
0.8406 Intermediate Similarity NPC162093
0.8406 Intermediate Similarity NPC299144
0.8403 Intermediate Similarity NPC471028
0.8403 Intermediate Similarity NPC297342
0.8397 Intermediate Similarity NPC247553
0.8392 Intermediate Similarity NPC472353
0.8392 Intermediate Similarity NPC475084

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC103409 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
0.9149 High Similarity NPD1653 Approved
0.8714 High Similarity NPD1652 Phase 2
0.8692 High Similarity NPD1091 Approved
0.8289 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8271 Intermediate Similarity NPD422 Phase 1
0.8214 Intermediate Similarity NPD5124 Phase 1
0.8214 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7887 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7887 Intermediate Similarity NPD1613 Approved
0.7836 Intermediate Similarity NPD1548 Phase 1
0.7815 Intermediate Similarity NPD5403 Approved
0.7808 Intermediate Similarity NPD7266 Discontinued
0.78 Intermediate Similarity NPD5401 Approved
0.7764 Intermediate Similarity NPD3818 Discontinued
0.7746 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD8455 Phase 2
0.7716 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD7054 Approved
0.7683 Intermediate Similarity NPD6559 Discontinued
0.7677 Intermediate Similarity NPD6801 Discontinued
0.7669 Intermediate Similarity NPD7472 Approved
0.7662 Intermediate Similarity NPD4380 Phase 2
0.7643 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD6797 Phase 2
0.7616 Intermediate Similarity NPD6799 Approved
0.7609 Intermediate Similarity NPD1610 Phase 2
0.7606 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD7075 Discontinued
0.758 Intermediate Similarity NPD5402 Approved
0.7576 Intermediate Similarity NPD7251 Discontinued
0.7571 Intermediate Similarity NPD3225 Approved
0.7561 Intermediate Similarity NPD7074 Phase 3
0.7538 Intermediate Similarity NPD290 Approved
0.7538 Intermediate Similarity NPD1358 Approved
0.7535 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD7808 Phase 3
0.7519 Intermediate Similarity NPD9697 Approved
0.7517 Intermediate Similarity NPD1549 Phase 2
0.75 Intermediate Similarity NPD1296 Phase 2
0.7483 Intermediate Similarity NPD7097 Phase 1
0.7483 Intermediate Similarity NPD4908 Phase 1
0.7468 Intermediate Similarity NPD3817 Phase 2
0.7466 Intermediate Similarity NPD4340 Discontinued
0.7453 Intermediate Similarity NPD7199 Phase 2
0.745 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD3750 Approved
0.7417 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD7411 Suspended
0.7383 Intermediate Similarity NPD1551 Phase 2
0.7379 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD6798 Discontinued
0.7342 Intermediate Similarity NPD37 Approved
0.7329 Intermediate Similarity NPD6233 Phase 2
0.7325 Intermediate Similarity NPD6599 Discontinued
0.7315 Intermediate Similarity NPD3748 Approved
0.7312 Intermediate Similarity NPD4966 Approved
0.7312 Intermediate Similarity NPD4967 Phase 2
0.7312 Intermediate Similarity NPD4965 Approved
0.731 Intermediate Similarity NPD3027 Phase 3
0.7303 Intermediate Similarity NPD4628 Phase 3
0.7296 Intermediate Similarity NPD7819 Suspended
0.7289 Intermediate Similarity NPD5844 Phase 1
0.7285 Intermediate Similarity NPD2424 Discontinued
0.7273 Intermediate Similarity NPD2797 Approved
0.7267 Intermediate Similarity NPD2796 Approved
0.7259 Intermediate Similarity NPD7843 Approved
0.7256 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD6674 Discontinued
0.7233 Intermediate Similarity NPD1934 Approved
0.723 Intermediate Similarity NPD1933 Approved
0.7229 Intermediate Similarity NPD7228 Approved
0.7222 Intermediate Similarity NPD6234 Discontinued
0.7218 Intermediate Similarity NPD2684 Approved
0.7208 Intermediate Similarity NPD5058 Phase 3
0.7202 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD1510 Phase 2
0.72 Intermediate Similarity NPD7033 Discontinued
0.7197 Intermediate Similarity NPD3134 Approved
0.719 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD1465 Phase 2
0.7185 Intermediate Similarity NPD969 Suspended
0.7183 Intermediate Similarity NPD9717 Approved
0.717 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD3496 Discontinued
0.7161 Intermediate Similarity NPD1511 Approved
0.7153 Intermediate Similarity NPD1203 Approved
0.7143 Intermediate Similarity NPD3268 Approved
0.7134 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD5535 Approved
0.7126 Intermediate Similarity NPD3751 Discontinued
0.7124 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD6832 Phase 2
0.7115 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD6355 Discontinued
0.711 Intermediate Similarity NPD6841 Approved
0.711 Intermediate Similarity NPD6843 Phase 3
0.711 Intermediate Similarity NPD6842 Approved
0.7108 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD6166 Phase 2
0.7101 Intermediate Similarity NPD7157 Approved
0.7092 Intermediate Similarity NPD1778 Approved
0.7091 Intermediate Similarity NPD3787 Discontinued
0.7083 Intermediate Similarity NPD8651 Approved
0.7081 Intermediate Similarity NPD2801 Approved
0.7076 Intermediate Similarity NPD8312 Approved
0.7076 Intermediate Similarity NPD8313 Approved
0.707 Intermediate Similarity NPD1512 Approved
0.7059 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7240 Approved
0.7059 Intermediate Similarity NPD7685 Pre-registration
0.7055 Intermediate Similarity NPD2861 Phase 2
0.7049 Intermediate Similarity NPD7583 Approved
0.7047 Intermediate Similarity NPD4060 Phase 1
0.7044 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD6190 Approved
0.7027 Intermediate Similarity NPD1048 Approved
0.7027 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD920 Approved
0.702 Intermediate Similarity NPD4538 Approved
0.702 Intermediate Similarity NPD4536 Approved
0.702 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7549 Discontinued
0.7014 Intermediate Similarity NPD4749 Approved
0.7013 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD7585 Approved
0.7006 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD230 Phase 1
0.7 Intermediate Similarity NPD447 Suspended
0.6994 Remote Similarity NPD7768 Phase 2
0.6993 Remote Similarity NPD5763 Approved
0.6993 Remote Similarity NPD5762 Approved
0.6987 Remote Similarity NPD643 Clinical (unspecified phase)
0.6986 Remote Similarity NPD1019 Discontinued
0.698 Remote Similarity NPD4062 Phase 3
0.6974 Remote Similarity NPD5960 Phase 3
0.6974 Remote Similarity NPD5588 Approved
0.6962 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6943 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6943 Remote Similarity NPD7212 Phase 2
0.6943 Remote Similarity NPD7213 Phase 3
0.6939 Remote Similarity NPD3018 Phase 2
0.6933 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6933 Remote Similarity NPD1240 Approved
0.6933 Remote Similarity NPD2415 Discontinued
0.6918 Remote Similarity NPD3267 Approved
0.6918 Remote Similarity NPD3266 Approved
0.6905 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6903 Remote Similarity NPD1243 Approved
0.6901 Remote Similarity NPD1357 Approved
0.6899 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6893 Remote Similarity NPD7879 Clinical (unspecified phase)
0.689 Remote Similarity NPD3882 Suspended
0.6875 Remote Similarity NPD3705 Approved
0.6863 Remote Similarity NPD4308 Phase 3
0.6853 Remote Similarity NPD6516 Phase 2
0.6853 Remote Similarity NPD5846 Approved
0.6848 Remote Similarity NPD3749 Approved
0.6846 Remote Similarity NPD4625 Phase 3
0.6846 Remote Similarity NPD7095 Approved
0.6842 Remote Similarity NPD1607 Approved
0.6842 Remote Similarity NPD6653 Approved
0.6835 Remote Similarity NPD1241 Discontinued
0.6831 Remote Similarity NPD1894 Discontinued
0.6831 Remote Similarity NPD9545 Approved
0.6826 Remote Similarity NPD8127 Discontinued
0.6821 Remote Similarity NPD4140 Approved
0.6815 Remote Similarity NPD968 Approved
0.6807 Remote Similarity NPD919 Approved
0.68 Remote Similarity NPD2313 Discontinued
0.6792 Remote Similarity NPD7447 Phase 1
0.6783 Remote Similarity NPD5691 Approved
0.6781 Remote Similarity NPD3685 Discontinued
0.6781 Remote Similarity NPD2983 Phase 2
0.6781 Remote Similarity NPD2982 Phase 2
0.6776 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6002 Phase 3
0.6774 Remote Similarity NPD6004 Phase 3
0.6774 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6005 Phase 3
0.6774 Remote Similarity NPD7584 Approved
0.6774 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6766 Remote Similarity NPD5494 Approved
0.6759 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6759 Remote Similarity NPD1535 Discovery
0.675 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6736 Remote Similarity NPD4626 Approved
0.6733 Remote Similarity NPD3180 Approved
0.6733 Remote Similarity NPD3179 Approved
0.6728 Remote Similarity NPD7458 Discontinued
0.6728 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6727 Remote Similarity NPD4288 Approved
0.6712 Remote Similarity NPD1481 Phase 2

Structure

External Identifiers

PubChem CID   99693
ChEMBL   CHEMBL526377
ZINC  

Physicochemical Properties

Molecular Weight:  324.08
ALogP:  -1.9372
MLogP:  2.23
XLogP:  0.424
# Rotatable Bonds:  7
Polar Surface Area:  125.68
# H-Bond Aceptor:  6
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  23

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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