Natural Product: NPC153453

Natural Product ID:  NPC153453
Common Name:   Evelynin
IUPAC Name:   2-[3-(3,4-dimethoxyphenyl)-3-oxopropyl]-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione
Synonyms:   Evelynin
Molecular Formula:   C19H20O7
Standard InCHIKey:  RESAUZHVVYGGHO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C19H20O7/c1-23-15-8-5-11(9-16(15)24-2)13(20)7-6-12-14(21)10-17(25-3)18(22)19(12)26-4/h5,8-10H,6-7H2,1-4H3
Canonical SMILES:  COC1=CC(=O)C(=C(C1=O)OC)CCC(=O)c1ccc(c(c1)OC)OC
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
NPO9126 Stevia maimarensis Species Asteraceae Eukaryota UNPD*
NPO14634 Artemisia balchanorum Species Asteraceae Eukaryota UNPD*
NPO14018 Pleurotus salmoneostramineus Species Pleurotaceae Eukaryota UNPD*
NPO11909 Othonna arborescens Species Asteraceae Eukaryota UNPD*
NPO1576 Anthriscus sylvestris Species Apiaceae Eukaryota UNPD*
NPO13723 Salvia eriophora Species Lamiaceae Eukaryota UNPD*
NPO10094 Daphne gnidioides Species Thymelaeaceae Eukaryota UNPD*
NPO13831 Cephalotaxus oliveri Species Taxaceae Eukaryota UNPD*
NPO10695 Pelargonium zonale Species Geraniaceae Eukaryota UNPD*
NPO11585 Geijera salicifolia Species Rutaceae Eukaryota UNPD*
NPO13332 Tacca chantrieri Species Taccaceae Eukaryota UNPD*
NPO1133 Zieria laevigata Species Rutaceae Eukaryota UNPD*
NPO11157 Corydalis saxicola Species Papaveraceae Eukaryota UNPD*
NPO12186 Opopanax chironium Species Apiaceae Eukaryota UNPD*
NPO11753 Sideroxylon foetidissimum Species Sapotaceae Eukaryota UNPD*
NPO12268 Aloe littoralis Species Asphodelaceae Eukaryota UNPD*
NPO13527 Solanum ecuadorense Species Solanaceae Eukaryota UNPD*
NPO3227 Androsace umbellata Species Primulaceae Eukaryota UNPD*
NPO7143 Acacia jacquemontii Species Fabaceae Eukaryota UNPD*
NPO11396 Metzgeria furcata Species Metzgeriaceae Eukaryota UNPD*
NPO14308 Coleonema pulchrum Species Rutaceae Eukaryota UNPD*
NPO6266 Anzia hypoleucoides Species Parmeliaceae Eukaryota UNPD*
NPO8399 Psiadia trinervia Species Asteraceae Eukaryota UNPD*
NPO5551 Podocarpus sylvestris Species Podocarpaceae Eukaryota UNPD*
NPO13426 Lemmaphyllum microphyllum Species Polypodiaceae Eukaryota UNPD*
NPO12093 Papaver orientale Species Papaveraceae Eukaryota UNPD*
NPO9487 Penicillium flexuosum Species Aspergillaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT400 Cell Line MDA-MB-435 Homo sapiens IC50 = 4100 nM 20715765
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 3900 nM 20715765
NPT306 Cell Line PC-3 Homo sapiens IC50 = 4700 nM 20715765
NPT165 Cell Line HeLa Homo sapiens IC50 = 6300 nM 20715765

  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 NPC153453 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
0.9127 High Similarity NPC474691
0.904 High Similarity NPC225245
0.8788 High Similarity NPC172673
0.876 High Similarity NPC30216
0.8741 High Similarity NPC88065
0.8741 High Similarity NPC89504
0.8741 High Similarity NPC95485
0.8705 High Similarity NPC28326
0.8686 High Similarity NPC470962
0.8657 High Similarity NPC239302
0.8594 High Similarity NPC295317
0.8582 High Similarity NPC472836
0.8561 High Similarity NPC16651
0.8561 High Similarity NPC32163
0.8561 High Similarity NPC286683
0.855 High Similarity NPC473626
0.8507 High Similarity NPC66905
0.8492 Intermediate Similarity NPC268317
0.8485 Intermediate Similarity NPC154275
0.8467 Intermediate Similarity NPC139519
0.8425 Intermediate Similarity NPC474414
0.8425 Intermediate Similarity NPC469954
0.8417 Intermediate Similarity NPC44573
0.8417 Intermediate Similarity NPC284409
0.8403 Intermediate Similarity NPC294972
0.8392 Intermediate Similarity NPC476362
0.8382 Intermediate Similarity NPC50763
0.8357 Intermediate Similarity NPC223336
0.8357 Intermediate Similarity NPC322021
0.8322 Intermediate Similarity NPC207732
0.8321 Intermediate Similarity NPC327410
0.831 Intermediate Similarity NPC192597
0.831 Intermediate Similarity NPC125134
0.831 Intermediate Similarity NPC86455
0.831 Intermediate Similarity NPC169214
0.831 Intermediate Similarity NPC176030
0.831 Intermediate Similarity NPC185607
0.831 Intermediate Similarity NPC137920
0.831 Intermediate Similarity NPC141817
0.831 Intermediate Similarity NPC229218
0.8298 Intermediate Similarity NPC28398
0.8296 Intermediate Similarity NPC304622
0.8288 Intermediate Similarity NPC237441
0.8286 Intermediate Similarity NPC325625
0.8284 Intermediate Similarity NPC123722
0.8284 Intermediate Similarity NPC276466
0.8284 Intermediate Similarity NPC123228
0.8284 Intermediate Similarity NPC151167
0.8284 Intermediate Similarity NPC5018
0.8281 Intermediate Similarity NPC185738
0.8276 Intermediate Similarity NPC117463
0.8276 Intermediate Similarity NPC299923
0.8264 Intermediate Similarity NPC474446
0.8264 Intermediate Similarity NPC30890
0.8258 Intermediate Similarity NPC257976
0.8258 Intermediate Similarity NPC242372
0.8258 Intermediate Similarity NPC164778
0.8258 Intermediate Similarity NPC4181
0.8252 Intermediate Similarity NPC239608
0.8252 Intermediate Similarity NPC46161
0.8252 Intermediate Similarity NPC46880
0.824 Intermediate Similarity NPC23332
0.8239 Intermediate Similarity NPC58229
0.8235 Intermediate Similarity NPC477694
0.8235 Intermediate Similarity NPC285776
0.8235 Intermediate Similarity NPC477705
0.8235 Intermediate Similarity NPC299010
0.8231 Intermediate Similarity NPC295977
0.8231 Intermediate Similarity NPC58310
0.8222 Intermediate Similarity NPC304747
0.8219 Intermediate Similarity NPC472839
0.8209 Intermediate Similarity NPC179777
0.8209 Intermediate Similarity NPC90128
0.8209 Intermediate Similarity NPC84076
0.8209 Intermediate Similarity NPC303680
0.8207 Intermediate Similarity NPC120924
0.8207 Intermediate Similarity NPC195919
0.8207 Intermediate Similarity NPC310259
0.8207 Intermediate Similarity NPC216314
0.8201 Intermediate Similarity NPC22644
0.8201 Intermediate Similarity NPC208760
0.8195 Intermediate Similarity NPC273686
0.8195 Intermediate Similarity NPC312404
0.8188 Intermediate Similarity NPC127172
0.8188 Intermediate Similarity NPC288743
0.8182 Intermediate Similarity NPC139171
0.8182 Intermediate Similarity NPC114298
0.8182 Intermediate Similarity NPC312256
0.8182 Intermediate Similarity NPC474966
0.8176 Intermediate Similarity NPC472838
0.8176 Intermediate Similarity NPC306011
0.8175 Intermediate Similarity NPC477706
0.8163 Intermediate Similarity NPC69752
0.816 Intermediate Similarity NPC183648
0.8151 Intermediate Similarity NPC58373
0.8148 Intermediate Similarity NPC203719
0.8148 Intermediate Similarity NPC64948
0.8148 Intermediate Similarity NPC117237
0.8138 Intermediate Similarity NPC213482
0.8138 Intermediate Similarity NPC157133
0.8138 Intermediate Similarity NPC471590
0.8138 Intermediate Similarity NPC136278
0.8134 Intermediate Similarity NPC257589
0.8134 Intermediate Similarity NPC53305
0.8133 Intermediate Similarity NPC234485
0.8129 Intermediate Similarity NPC37065
0.8129 Intermediate Similarity NPC311339
0.8125 Intermediate Similarity NPC50954
0.8125 Intermediate Similarity NPC476054
0.8125 Intermediate Similarity NPC119663
0.8121 Intermediate Similarity NPC60211
0.812 Intermediate Similarity NPC163083
0.812 Intermediate Similarity NPC244876
0.8116 Intermediate Similarity NPC111888
0.8112 Intermediate Similarity NPC110419
0.8112 Intermediate Similarity NPC84273
0.8108 Intermediate Similarity NPC259058
0.8108 Intermediate Similarity NPC201547
0.8106 Intermediate Similarity NPC201777
0.8102 Intermediate Similarity NPC233961
0.8102 Intermediate Similarity NPC280399
0.8102 Intermediate Similarity NPC339621
0.8099 Intermediate Similarity NPC470855
0.8095 Intermediate Similarity NPC10304
0.8095 Intermediate Similarity NPC63256
0.8095 Intermediate Similarity NPC474903
0.8092 Intermediate Similarity NPC250076
0.8085 Intermediate Similarity NPC186647
0.8085 Intermediate Similarity NPC301341
0.8082 Intermediate Similarity NPC24257
0.8082 Intermediate Similarity NPC165389
0.8082 Intermediate Similarity NPC153620
0.8074 Intermediate Similarity NPC92207
0.8074 Intermediate Similarity NPC127937
0.8074 Intermediate Similarity NPC177925
0.8071 Intermediate Similarity NPC143649
0.8071 Intermediate Similarity NPC204592
0.8069 Intermediate Similarity NPC182842
0.8069 Intermediate Similarity NPC232883
0.8069 Intermediate Similarity NPC293201
0.8069 Intermediate Similarity NPC142165
0.8069 Intermediate Similarity NPC327052
0.8069 Intermediate Similarity NPC113089
0.8069 Intermediate Similarity NPC105213
0.8067 Intermediate Similarity NPC305710
0.8058 Intermediate Similarity NPC159418
0.8058 Intermediate Similarity NPC283823
0.8056 Intermediate Similarity NPC27220
0.8045 Intermediate Similarity NPC256167
0.8045 Intermediate Similarity NPC286573
0.8042 Intermediate Similarity NPC51681
0.8042 Intermediate Similarity NPC138438
0.8042 Intermediate Similarity NPC908
0.8041 Intermediate Similarity NPC181250
0.803 Intermediate Similarity NPC471877
0.803 Intermediate Similarity NPC158949
0.8029 Intermediate Similarity NPC150809
0.8027 Intermediate Similarity NPC98009
0.8027 Intermediate Similarity NPC470511
0.8027 Intermediate Similarity NPC52692
0.8027 Intermediate Similarity NPC474999
0.8027 Intermediate Similarity NPC205522
0.8027 Intermediate Similarity NPC93034
0.8027 Intermediate Similarity NPC119660
0.8015 Intermediate Similarity NPC223807
0.8015 Intermediate Similarity NPC293387
0.8014 Intermediate Similarity NPC296575
0.8014 Intermediate Similarity NPC225351
0.8014 Intermediate Similarity NPC77955
0.8014 Intermediate Similarity NPC9370
0.8014 Intermediate Similarity NPC224687
0.8014 Intermediate Similarity NPC287495
0.8013 Intermediate Similarity NPC268008
0.8013 Intermediate Similarity NPC3273
0.8 Intermediate Similarity NPC70853
0.8 Intermediate Similarity NPC473090
0.8 Intermediate Similarity NPC224884
0.8 Intermediate Similarity NPC120066
0.8 Intermediate Similarity NPC469615
0.8 Intermediate Similarity NPC9966
0.8 Intermediate Similarity NPC254659
0.8 Intermediate Similarity NPC144662
0.8 Intermediate Similarity NPC327225
0.8 Intermediate Similarity NPC155098
0.8 Intermediate Similarity NPC209085
0.8 Intermediate Similarity NPC280001
0.8 Intermediate Similarity NPC304956
0.7987 Intermediate Similarity NPC62354
0.7987 Intermediate Similarity NPC472279
0.7986 Intermediate Similarity NPC183103
0.7986 Intermediate Similarity NPC46180
0.7974 Intermediate Similarity NPC477410
0.7974 Intermediate Similarity NPC245891
0.7974 Intermediate Similarity NPC104876
0.7973 Intermediate Similarity NPC474556
0.7973 Intermediate Similarity NPC261548
0.7972 Intermediate Similarity NPC4796
0.7972 Intermediate Similarity NPC474784
0.7971 Intermediate Similarity NPC298268
0.7961 Intermediate Similarity NPC265511

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC153453 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
0.8281 Intermediate Similarity NPD5536 Phase 2
0.8148 Intermediate Similarity NPD9494 Approved
0.8045 Intermediate Similarity NPD3972 Approved
0.8027 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7961 Intermediate Similarity NPD3882 Suspended
0.7871 Intermediate Similarity NPD1247 Approved
0.7852 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD1241 Discontinued
0.7829 Intermediate Similarity NPD5283 Phase 1
0.7778 Intermediate Similarity NPD3817 Phase 2
0.7687 Intermediate Similarity NPD3887 Approved
0.7664 Intermediate Similarity NPD1876 Approved
0.7658 Intermediate Similarity NPD3926 Phase 2
0.7655 Intermediate Similarity NPD2353 Approved
0.7655 Intermediate Similarity NPD1471 Phase 3
0.7655 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD919 Approved
0.7597 Intermediate Similarity NPD2801 Approved
0.7584 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD6799 Approved
0.7582 Intermediate Similarity NPD6385 Approved
0.7582 Intermediate Similarity NPD6386 Approved
0.758 Intermediate Similarity NPD5494 Approved
0.7552 Intermediate Similarity NPD447 Suspended
0.7548 Intermediate Similarity NPD5978 Approved
0.7548 Intermediate Similarity NPD5977 Approved
0.7532 Intermediate Similarity NPD1934 Approved
0.7481 Intermediate Similarity NPD1651 Approved
0.7466 Intermediate Similarity NPD2796 Approved
0.7466 Intermediate Similarity NPD2935 Discontinued
0.745 Intermediate Similarity NPD2354 Approved
0.7432 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD1933 Approved
0.7417 Intermediate Similarity NPD3146 Approved
0.7417 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD6599 Discontinued
0.7391 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD6166 Phase 2
0.7383 Intermediate Similarity NPD4628 Phase 3
0.7372 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD1512 Approved
0.7361 Intermediate Similarity NPD3142 Approved
0.7361 Intermediate Similarity NPD3140 Approved
0.7361 Intermediate Similarity NPD1240 Approved
0.7355 Intermediate Similarity NPD6873 Phase 2
0.7329 Intermediate Similarity NPD5242 Approved
0.7325 Intermediate Similarity NPD5353 Approved
0.731 Intermediate Similarity NPD230 Phase 1
0.7305 Intermediate Similarity NPD2798 Approved
0.7303 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD2799 Discontinued
0.7279 Intermediate Similarity NPD1510 Phase 2
0.7278 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD228 Approved
0.7267 Intermediate Similarity NPD6232 Discontinued
0.726 Intermediate Similarity NPD1607 Approved
0.7241 Intermediate Similarity NPD943 Approved
0.7239 Intermediate Similarity NPD7473 Discontinued
0.7237 Intermediate Similarity NPD1511 Approved
0.7234 Intermediate Similarity NPD3267 Approved
0.7234 Intermediate Similarity NPD3266 Approved
0.7233 Intermediate Similarity NPD7075 Discontinued
0.7231 Intermediate Similarity NPD1358 Approved
0.7222 Intermediate Similarity NPD6798 Discontinued
0.7219 Intermediate Similarity NPD6190 Approved
0.7203 Intermediate Similarity NPD6832 Phase 2
0.7197 Intermediate Similarity NPD6801 Discontinued
0.7195 Intermediate Similarity NPD2163 Approved
0.7195 Intermediate Similarity NPD3818 Discontinued
0.7194 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD1281 Approved
0.7192 Intermediate Similarity NPD6355 Discontinued
0.7181 Intermediate Similarity NPD2344 Approved
0.7179 Intermediate Similarity NPD7028 Phase 2
0.7178 Intermediate Similarity NPD2403 Approved
0.7174 Intermediate Similarity NPD17 Approved
0.7172 Intermediate Similarity NPD6233 Phase 2
0.7162 Intermediate Similarity NPD3748 Approved
0.7153 Intermediate Similarity NPD7095 Approved
0.7152 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD4110 Phase 3
0.7143 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD824 Approved
0.7115 Intermediate Similarity NPD7458 Discontinued
0.7114 Intermediate Similarity NPD2438 Suspended
0.7103 Intermediate Similarity NPD3268 Approved
0.7097 Intermediate Similarity NPD6662 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7808 Phase 3
0.7083 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD1337 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD4380 Phase 2
0.7066 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD6797 Phase 2
0.7055 Intermediate Similarity NPD4062 Phase 3
0.7048 Intermediate Similarity NPD5844 Phase 1
0.7047 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD7819 Suspended
0.7042 Intermediate Similarity NPD1283 Approved
0.7034 Intermediate Similarity NPD3027 Phase 3
0.7032 Intermediate Similarity NPD5049 Phase 3
0.7029 Intermediate Similarity NPD9545 Approved
0.7025 Intermediate Similarity NPD7411 Suspended
0.7024 Intermediate Similarity NPD7251 Discontinued
0.7023 Intermediate Similarity NPD3134 Approved
0.7021 Intermediate Similarity NPD1608 Approved
0.7021 Intermediate Similarity NPD2981 Phase 2
0.702 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD1549 Phase 2
0.7007 Intermediate Similarity NPD4307 Phase 2
0.7007 Intermediate Similarity NPD2979 Phase 3
0.7006 Intermediate Similarity NPD7074 Phase 3
0.7 Intermediate Similarity NPD5402 Approved
0.6993 Remote Similarity NPD2309 Approved
0.6986 Remote Similarity NPD2313 Discontinued
0.6978 Remote Similarity NPD9268 Approved
0.6978 Remote Similarity NPD5691 Approved
0.6972 Remote Similarity NPD2983 Phase 2
0.6972 Remote Similarity NPD2982 Phase 2
0.6962 Remote Similarity NPD6875 Approved
0.6962 Remote Similarity NPD6876 Approved
0.6959 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6954 Remote Similarity NPD2346 Discontinued
0.6954 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6954 Remote Similarity NPD1550 Clinical (unspecified phase)
0.695 Remote Similarity NPD3705 Approved
0.6946 Remote Similarity NPD7054 Approved
0.6943 Remote Similarity NPD957 Approved
0.6941 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6937 Remote Similarity NPD1465 Phase 2
0.6929 Remote Similarity NPD4626 Approved
0.6928 Remote Similarity NPD3750 Approved
0.6928 Remote Similarity NPD8166 Discontinued
0.6918 Remote Similarity NPD7109 Clinical (unspecified phase)
0.6918 Remote Similarity NPD7110 Phase 1
0.6917 Remote Similarity NPD2684 Approved
0.6909 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6905 Remote Similarity NPD7472 Approved
0.6903 Remote Similarity NPD4357 Discontinued
0.6901 Remote Similarity NPD9717 Approved
0.6901 Remote Similarity NPD9269 Phase 2
0.6899 Remote Similarity NPD3226 Approved
0.6897 Remote Similarity NPD3018 Phase 2
0.6894 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6892 Remote Similarity NPD4060 Phase 1
0.6879 Remote Similarity NPD5403 Approved
0.6879 Remote Similarity NPD3847 Discontinued
0.6879 Remote Similarity NPD920 Approved
0.6871 Remote Similarity NPD5111 Phase 2
0.6871 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6871 Remote Similarity NPD5110 Phase 2
0.6871 Remote Similarity NPD5109 Approved
0.6866 Remote Similarity NPD2067 Discontinued
0.6863 Remote Similarity NPD2654 Approved
0.6863 Remote Similarity NPD1243 Approved
0.6861 Remote Similarity NPD690 Clinical (unspecified phase)
0.6859 Remote Similarity NPD5401 Approved
0.6859 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6848 Remote Similarity NPD6808 Phase 2
0.6838 Remote Similarity NPD7843 Approved
0.6838 Remote Similarity NPD5535 Approved
0.6828 Remote Similarity NPD1019 Discontinued
0.6824 Remote Similarity NPD8032 Phase 2
0.6824 Remote Similarity NPD7685 Pre-registration
0.6821 Remote Similarity NPD4308 Phase 3
0.6818 Remote Similarity NPD7003 Approved
0.6818 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6815 Remote Similarity NPD6273 Approved
0.6813 Remote Similarity NPD5089 Approved
0.6813 Remote Similarity NPD958 Approved
0.6813 Remote Similarity NPD5090 Approved
0.6812 Remote Similarity NPD7157 Approved
0.681 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6809 Remote Similarity NPD3412 Clinical (unspecified phase)
0.68 Remote Similarity NPD6651 Approved
0.6797 Remote Similarity NPD4534 Discontinued
0.6797 Remote Similarity NPD2424 Discontinued
0.6792 Remote Similarity NPD2651 Approved
0.6792 Remote Similarity NPD2649 Approved
0.6792 Remote Similarity NPD3455 Phase 2
0.6788 Remote Similarity NPD2821 Approved
0.678 Remote Similarity NPD4413 Clinical (unspecified phase)
0.6776 Remote Similarity NPD2531 Phase 2
0.6772 Remote Similarity NPD3640 Phase 3
0.6772 Remote Similarity NPD5586 Clinical (unspecified phase)
0.6772 Remote Similarity NPD3639 Approved
0.6772 Remote Similarity NPD3641 Approved
0.677 Remote Similarity NPD6279 Approved
0.677 Remote Similarity NPD37 Approved
0.677 Remote Similarity NPD6280 Approved
0.6768 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6763 Remote Similarity NPD405 Clinical (unspecified phase)
0.6763 Remote Similarity NPD9493 Approved
0.6759 Remote Similarity NPD2797 Approved
0.6759 Remote Similarity NPD1203 Approved
0.6757 Remote Similarity NPD411 Approved
0.6757 Remote Similarity NPD3764 Approved
0.6753 Remote Similarity NPD2800 Approved

Structure

External Identifiers

PubChem CID   46938776
ChEMBL   CHEMBL1224594
ZINC  

Physicochemical Properties

Molecular Weight:  360.12
ALogP:  -1.1617
MLogP:  2.78
XLogP:  1.293
# Rotatable Bonds:  12
Polar Surface Area:  88.13
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  26

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Biological Activities  
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