Natural Product: NPC95172

Natural Product ID:  NPC95172
Common Name:   1-(4-Hydroxyphenyl)Nonan-1-One
IUPAC Name:   1-(4-hydroxyphenyl)nonan-1-one
Synonyms:  
Molecular Formula:   C15H22O2
Standard InCHIKey:  JZBXYOOARNRUME-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h9-12,16H,2-8H2,1H3
Canonical SMILES:  CCCCCCCCC(=O)c1ccc(cc1)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
NPO1834 Atalantia racemosa Species Rutaceae Eukaryota UNPD*
NPO21830 Buddleja cordata Species Scrophulariaceae Eukaryota UNPD*
NPO9934 Mycobacterium leprae Species Mycobacteriaceae Bacteria UNPD*
NPO12855 Alkanna cappadocica Species Boraginaceae Eukaryota UNPD*
NPO9313 Fritillaria ningguoensis Species Liliaceae Eukaryota UNPD*
NPO13478 Scorzonera pseudodivaricata Species Asteraceae Eukaryota UNPD*
NPO10783 Syncarpia hillii Species Myrtaceae Eukaryota UNPD*
NPO14578 Prorocentrum micans Species Prorocentraceae Eukaryota UNPD*
NPO12196 Buphane fischeri NA NA NA UNPD*
NPO13671 Ononis vaginalis Species Fabaceae Eukaryota UNPD*
NPO13585 Rapanea lancifolia Species Primulaceae Eukaryota UNPD*
NPO3492 Negombata magnifica Species Latrunculiidae Eukaryota UNPD*
NPO6360 Xenoacremonium recifei Species Nectriaceae Eukaryota UNPD*
NPO8928 Pteris semipinnata Species Pteridaceae Eukaryota UNPD*
NPO252 Hoffmannia strigillosa Species Rubiaceae Eukaryota UNPD*
NPO2398 Millettia erythrocalyx Species Fabaceae Eukaryota UNPD*
NPO11848 Lemaireocereus griseus Species Cactaceae Eukaryota UNPD*
NPO24390.1 Juniperus rigida var. conferta Varieties Cupressaceae Eukaryota UNPD*
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota UNPD*
NPO13030 Artemisia dentata Species Asteraceae Eukaryota UNPD*
NPO5930 Crambe tatarica Species Brassicaceae Eukaryota UNPD*
NPO12700 Diospyros eriantha Species Ebenaceae Eukaryota UNPD*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT958 Individual Protein Estradiol 17-beta-dehydrogenase 3 Homo sapiens IC50 = 2860 nM 16797984
NPT958 Individual Protein Estradiol 17-beta-dehydrogenase 3 Homo sapiens Inhibition = 83.53 % 16797984

  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 NPC95172 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
0.9802 High Similarity NPC226699
0.9703 High Similarity NPC6984
0.9619 High Similarity NPC242136
0.9333 High Similarity NPC116842
0.9327 High Similarity NPC17525
0.9259 High Similarity NPC322197
0.9252 High Similarity NPC11824
0.9245 High Similarity NPC114682
0.9245 High Similarity NPC212718
0.9159 High Similarity NPC231717
0.9109 High Similarity NPC280869
0.9099 High Similarity NPC473767
0.9065 High Similarity NPC268388
0.9048 High Similarity NPC34715
0.901 High Similarity NPC260000
0.9009 High Similarity NPC474890
0.9009 High Similarity NPC161943
0.9009 High Similarity NPC249435
0.9009 High Similarity NPC273282
0.8962 High Similarity NPC224584
0.8952 High Similarity NPC95178
0.8952 High Similarity NPC69332
0.8952 High Similarity NPC29989
0.8919 High Similarity NPC150919
0.8879 High Similarity NPC88141
0.8868 High Similarity NPC141523
0.8868 High Similarity NPC29883
0.8857 High Similarity NPC219913
0.8829 High Similarity NPC83718
0.8783 High Similarity NPC139171
0.8783 High Similarity NPC309765
0.8774 High Similarity NPC184658
0.8774 High Similarity NPC70843
0.8762 High Similarity NPC120693
0.8762 High Similarity NPC261573
0.8762 High Similarity NPC8931
0.8761 High Similarity NPC161617
0.875 High Similarity NPC174087
0.875 High Similarity NPC472585
0.8696 High Similarity NPC303737
0.8692 High Similarity NPC228737
0.8684 High Similarity NPC159525
0.8661 High Similarity NPC131192
0.8654 High Similarity NPC52472
0.8621 High Similarity NPC67300
0.8621 High Similarity NPC282577
0.8614 High Similarity NPC181709
0.8611 High Similarity NPC317305
0.8609 High Similarity NPC190971
0.8609 High Similarity NPC248363
0.8609 High Similarity NPC149246
0.8598 High Similarity NPC188677
0.8596 High Similarity NPC158222
0.8571 High Similarity NPC23402
0.8571 High Similarity NPC161304
0.8558 High Similarity NPC245561
0.8547 High Similarity NPC174991
0.8545 High Similarity NPC23332
0.8534 High Similarity NPC215392
0.8534 High Similarity NPC120545
0.8534 High Similarity NPC156139
0.8522 High Similarity NPC294037
0.8509 High Similarity NPC40649
0.8509 High Similarity NPC94298
0.8509 High Similarity NPC209486
0.8509 High Similarity NPC27633
0.8505 High Similarity NPC13495
0.8496 Intermediate Similarity NPC477453
0.8487 Intermediate Similarity NPC473751
0.8487 Intermediate Similarity NPC305717
0.8487 Intermediate Similarity NPC62952
0.8482 Intermediate Similarity NPC285350
0.8475 Intermediate Similarity NPC184219
0.8462 Intermediate Similarity NPC32032
0.8462 Intermediate Similarity NPC68167
0.8462 Intermediate Similarity NPC91105
0.8462 Intermediate Similarity NPC91478
0.8462 Intermediate Similarity NPC133909
0.8455 Intermediate Similarity NPC183648
0.8455 Intermediate Similarity NPC222905
0.8455 Intermediate Similarity NPC21162
0.8448 Intermediate Similarity NPC146642
0.8448 Intermediate Similarity NPC216216
0.8448 Intermediate Similarity NPC297186
0.8421 Intermediate Similarity NPC269414
0.8421 Intermediate Similarity NPC121259
0.8421 Intermediate Similarity NPC160199
0.8421 Intermediate Similarity NPC469954
0.8417 Intermediate Similarity NPC169250
0.8417 Intermediate Similarity NPC162612
0.8417 Intermediate Similarity NPC23126
0.8417 Intermediate Similarity NPC100067
0.8417 Intermediate Similarity NPC105157
0.8417 Intermediate Similarity NPC103356
0.8417 Intermediate Similarity NPC30501
0.8417 Intermediate Similarity NPC72158
0.8417 Intermediate Similarity NPC190043
0.8417 Intermediate Similarity NPC266689
0.8417 Intermediate Similarity NPC98254
0.8407 Intermediate Similarity NPC240163
0.8403 Intermediate Similarity NPC123506
0.839 Intermediate Similarity NPC65761
0.839 Intermediate Similarity NPC472029
0.8376 Intermediate Similarity NPC45438
0.8376 Intermediate Similarity NPC73532
0.8376 Intermediate Similarity NPC224273
0.8376 Intermediate Similarity NPC143427
0.8376 Intermediate Similarity NPC19174
0.8376 Intermediate Similarity NPC267552
0.8376 Intermediate Similarity NPC295034
0.8376 Intermediate Similarity NPC242895
0.8376 Intermediate Similarity NPC115159
0.8348 Intermediate Similarity NPC184527
0.8348 Intermediate Similarity NPC41567
0.8347 Intermediate Similarity NPC221777
0.8347 Intermediate Similarity NPC96024
0.8347 Intermediate Similarity NPC21305
0.8347 Intermediate Similarity NPC473017
0.8333 Intermediate Similarity NPC267846
0.8333 Intermediate Similarity NPC303141
0.8333 Intermediate Similarity NPC254492
0.8333 Intermediate Similarity NPC110211
0.8333 Intermediate Similarity NPC204579
0.8333 Intermediate Similarity NPC325646
0.8333 Intermediate Similarity NPC15837
0.8333 Intermediate Similarity NPC19290
0.8333 Intermediate Similarity NPC28951
0.8319 Intermediate Similarity NPC276111
0.8319 Intermediate Similarity NPC118288
0.8319 Intermediate Similarity NPC199273
0.8318 Intermediate Similarity NPC68269
0.8318 Intermediate Similarity NPC135784
0.8317 Intermediate Similarity NPC123273
0.8317 Intermediate Similarity NPC318325
0.8317 Intermediate Similarity NPC242240
0.8305 Intermediate Similarity NPC475192
0.8304 Intermediate Similarity NPC17693
0.8288 Intermediate Similarity NPC252544
0.8288 Intermediate Similarity NPC321252
0.8286 Intermediate Similarity NPC201967
0.8279 Intermediate Similarity NPC474998
0.8276 Intermediate Similarity NPC61779
0.8273 Intermediate Similarity NPC31274
0.8264 Intermediate Similarity NPC116513
0.8264 Intermediate Similarity NPC84672
0.8264 Intermediate Similarity NPC69424
0.8264 Intermediate Similarity NPC72667
0.8264 Intermediate Similarity NPC176130
0.8264 Intermediate Similarity NPC78364
0.8257 Intermediate Similarity NPC317592
0.8257 Intermediate Similarity NPC187913
0.825 Intermediate Similarity NPC477454
0.825 Intermediate Similarity NPC49938
0.825 Intermediate Similarity NPC475733
0.823 Intermediate Similarity NPC162113
0.823 Intermediate Similarity NPC211421
0.823 Intermediate Similarity NPC62546
0.8224 Intermediate Similarity NPC25458
0.822 Intermediate Similarity NPC226275
0.822 Intermediate Similarity NPC196976
0.8218 Intermediate Similarity NPC113460
0.8218 Intermediate Similarity NPC25493
0.8214 Intermediate Similarity NPC177576
0.8208 Intermediate Similarity NPC130193
0.8197 Intermediate Similarity NPC473744
0.8197 Intermediate Similarity NPC193203
0.8197 Intermediate Similarity NPC229894
0.8182 Intermediate Similarity NPC303264
0.8182 Intermediate Similarity NPC473691
0.8182 Intermediate Similarity NPC8745
0.8174 Intermediate Similarity NPC299252
0.8174 Intermediate Similarity NPC277394
0.8174 Intermediate Similarity NPC61062
0.8173 Intermediate Similarity NPC32977
0.8173 Intermediate Similarity NPC81010
0.8167 Intermediate Similarity NPC13238
0.8165 Intermediate Similarity NPC163734
0.8165 Intermediate Similarity NPC243677
0.8158 Intermediate Similarity NPC81808
0.8148 Intermediate Similarity NPC470202
0.8148 Intermediate Similarity NPC13426
0.8145 Intermediate Similarity NPC475042
0.8142 Intermediate Similarity NPC286222
0.8137 Intermediate Similarity NPC177420
0.8137 Intermediate Similarity NPC280347
0.8137 Intermediate Similarity NPC258219
0.8136 Intermediate Similarity NPC165197
0.813 Intermediate Similarity NPC276238
0.813 Intermediate Similarity NPC92624
0.813 Intermediate Similarity NPC117899
0.813 Intermediate Similarity NPC171460
0.813 Intermediate Similarity NPC194979
0.812 Intermediate Similarity NPC195262
0.812 Intermediate Similarity NPC188814
0.8119 Intermediate Similarity NPC23167
0.8115 Intermediate Similarity NPC32163
0.8115 Intermediate Similarity NPC16651
0.8115 Intermediate Similarity NPC107672
0.8108 Intermediate Similarity NPC100551
0.8099 Intermediate Similarity NPC10926

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC95172 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
0.8868 High Similarity NPD9265 Clinical (unspecified phase)
0.8761 High Similarity NPD4196 Clinical (unspecified phase)
0.8509 High Similarity NPD9545 Approved
0.8108 Intermediate Similarity NPD9266 Approved
0.8108 Intermediate Similarity NPD74 Approved
0.8095 Intermediate Similarity NPD2860 Approved
0.8095 Intermediate Similarity NPD2859 Approved
0.8018 Intermediate Similarity NPD9263 Approved
0.8018 Intermediate Similarity NPD9267 Approved
0.8018 Intermediate Similarity NPD9264 Approved
0.8017 Intermediate Similarity NPD9493 Approved
0.8017 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD2934 Approved
0.8 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD3972 Approved
0.8 Intermediate Similarity NPD2933 Approved
0.7937 Intermediate Similarity NPD1240 Approved
0.7909 Intermediate Similarity NPD1237 Approved
0.787 Intermediate Similarity NPD3020 Approved
0.7822 Intermediate Similarity NPD111 Approved
0.7812 Intermediate Similarity NPD1607 Approved
0.7805 Intermediate Similarity NPD1164 Approved
0.7795 Intermediate Similarity NPD943 Approved
0.7788 Intermediate Similarity NPD9256 Approved
0.7788 Intermediate Similarity NPD9258 Approved
0.7778 Intermediate Similarity NPD256 Approved
0.7778 Intermediate Similarity NPD255 Approved
0.7769 Intermediate Similarity NPD1201 Approved
0.7759 Intermediate Similarity NPD1241 Discontinued
0.775 Intermediate Similarity NPD2932 Approved
0.775 Intermediate Similarity NPD3019 Approved
0.7727 Intermediate Similarity NPD940 Approved
0.7727 Intermediate Similarity NPD846 Approved
0.768 Intermediate Similarity NPD9494 Approved
0.7661 Intermediate Similarity NPD1470 Approved
0.7658 Intermediate Similarity NPD9261 Approved
0.7642 Intermediate Similarity NPD1755 Approved
0.7632 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7593 Intermediate Similarity NPD844 Approved
0.7593 Intermediate Similarity NPD1809 Phase 2
0.7576 Intermediate Similarity NPD2344 Approved
0.757 Intermediate Similarity NPD845 Approved
0.7561 Intermediate Similarity NPD9269 Phase 2
0.7557 Intermediate Similarity NPD1510 Phase 2
0.7557 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7542 Intermediate Similarity NPD9281 Approved
0.7521 Intermediate Similarity NPD9268 Approved
0.75 Intermediate Similarity NPD3764 Approved
0.7463 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD2798 Approved
0.744 Intermediate Similarity NPD1876 Approved
0.7436 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD9717 Approved
0.7417 Intermediate Similarity NPD9568 Approved
0.7404 Intermediate Similarity NPD9257 Approved
0.7404 Intermediate Similarity NPD9259 Approved
0.7388 Intermediate Similarity NPD1549 Phase 2
0.7387 Intermediate Similarity NPD2066 Phase 3
0.7368 Intermediate Similarity NPD2935 Discontinued
0.7364 Intermediate Similarity NPD288 Approved
0.7353 Intermediate Similarity NPD2309 Approved
0.7345 Intermediate Similarity NPD1930 Approved
0.7345 Intermediate Similarity NPD1929 Approved
0.7345 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD230 Phase 1
0.7321 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7313 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7313 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD2799 Discontinued
0.7279 Intermediate Similarity NPD4628 Phase 3
0.7265 Intermediate Similarity NPD3022 Approved
0.7265 Intermediate Similarity NPD3021 Approved
0.7252 Intermediate Similarity NPD3142 Approved
0.7252 Intermediate Similarity NPD3140 Approved
0.725 Intermediate Similarity NPD5951 Approved
0.7248 Intermediate Similarity NPD1202 Approved
0.7244 Intermediate Similarity NPD1203 Approved
0.72 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD800 Approved
0.7194 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD1693 Approved
0.7154 Intermediate Similarity NPD1759 Phase 1
0.7143 Intermediate Similarity NPD1608 Approved
0.7143 Intermediate Similarity NPD4878 Approved
0.7143 Intermediate Similarity NPD1481 Phase 2
0.7143 Intermediate Similarity NPD9495 Approved
0.713 Intermediate Similarity NPD9610 Approved
0.713 Intermediate Similarity NPD1090 Approved
0.713 Intermediate Similarity NPD1089 Approved
0.713 Intermediate Similarity NPD1086 Approved
0.713 Intermediate Similarity NPD9608 Approved
0.7122 Intermediate Similarity NPD7390 Discontinued
0.712 Intermediate Similarity NPD3023 Approved
0.712 Intermediate Similarity NPD3026 Approved
0.7115 Intermediate Similarity NPD9491 Approved
0.7111 Intermediate Similarity NPD5404 Approved
0.7111 Intermediate Similarity NPD5406 Approved
0.7111 Intermediate Similarity NPD5405 Approved
0.7111 Intermediate Similarity NPD2796 Approved
0.7111 Intermediate Similarity NPD5408 Approved
0.7109 Intermediate Similarity NPD2797 Approved
0.7107 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD2354 Approved
0.7099 Intermediate Similarity NPD3268 Approved
0.7097 Intermediate Similarity NPD3025 Approved
0.7097 Intermediate Similarity NPD3024 Approved
0.7097 Intermediate Similarity NPD1651 Approved
0.7091 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD5277 Phase 2
0.7073 Intermediate Similarity NPD1758 Phase 1
0.7063 Intermediate Similarity NPD1535 Discovery
0.7059 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD258 Approved
0.7054 Intermediate Similarity NPD257 Approved
0.7031 Intermediate Similarity NPD1283 Approved
0.7029 Intermediate Similarity NPD3750 Approved
0.7029 Intermediate Similarity NPD7003 Approved
0.7025 Intermediate Similarity NPD2234 Approved
0.7025 Intermediate Similarity NPD2229 Approved
0.7025 Intermediate Similarity NPD2228 Approved
0.7018 Intermediate Similarity NPD1242 Phase 1
0.7018 Intermediate Similarity NPD3028 Approved
0.7009 Intermediate Similarity NPD1444 Approved
0.7009 Intermediate Similarity NPD3134 Approved
0.7009 Intermediate Similarity NPD1445 Approved
0.7007 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1088 Approved
0.6993 Remote Similarity NPD7458 Discontinued
0.6984 Remote Similarity NPD3847 Discontinued
0.6983 Remote Similarity NPD164 Approved
0.697 Remote Similarity NPD2313 Discontinued
0.6957 Remote Similarity NPD1932 Approved
0.6953 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6953 Remote Similarity NPD5157 Phase 1
0.6953 Remote Similarity NPD5159 Phase 2
0.6949 Remote Similarity NPD1358 Approved
0.6944 Remote Similarity NPD4380 Phase 2
0.6934 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6934 Remote Similarity NPD2353 Approved
0.693 Remote Similarity NPD1238 Approved
0.6923 Remote Similarity NPD942 Approved
0.6917 Remote Similarity NPD520 Approved
0.6917 Remote Similarity NPD6663 Approved
0.6912 Remote Similarity NPD4308 Phase 3
0.6906 Remote Similarity NPD8166 Discontinued
0.6905 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6905 Remote Similarity NPD4626 Approved
0.6905 Remote Similarity NPD17 Approved
0.6897 Remote Similarity NPD7411 Suspended
0.6891 Remote Similarity NPD2182 Approved
0.6891 Remote Similarity NPD2684 Approved
0.6889 Remote Similarity NPD6651 Approved
0.688 Remote Similarity NPD1894 Discontinued
0.6879 Remote Similarity NPD6799 Approved
0.6879 Remote Similarity NPD1511 Approved
0.6875 Remote Similarity NPD9260 Approved
0.687 Remote Similarity NPD5736 Approved
0.687 Remote Similarity NPD4208 Discontinued
0.6866 Remote Similarity NPD825 Approved
0.6866 Remote Similarity NPD826 Approved
0.686 Remote Similarity NPD228 Approved
0.686 Remote Similarity NPD9508 Approved
0.686 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6857 Remote Similarity NPD3887 Approved
0.6852 Remote Similarity NPD1087 Approved
0.6849 Remote Similarity NPD7577 Discontinued
0.6842 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6842 Remote Similarity NPD411 Approved
0.6838 Remote Similarity NPD5909 Discontinued
0.6833 Remote Similarity NPD1792 Phase 2
0.6833 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6833 Remote Similarity NPD1317 Discontinued
0.6833 Remote Similarity NPD4750 Phase 3
0.6818 Remote Similarity NPD4207 Discontinued
0.6818 Remote Similarity NPD6832 Phase 2
0.6815 Remote Similarity NPD447 Suspended
0.6809 Remote Similarity NPD6884 Clinical (unspecified phase)
0.6809 Remote Similarity NPD3300 Phase 2
0.6803 Remote Similarity NPD2393 Clinical (unspecified phase)
0.68 Remote Similarity NPD5536 Phase 2
0.6797 Remote Similarity NPD1281 Approved
0.6797 Remote Similarity NPD422 Phase 1
0.6788 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6786 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6783 Remote Similarity NPD9509 Clinical (unspecified phase)
0.6783 Remote Similarity NPD1512 Approved
0.6779 Remote Similarity NPD7075 Discontinued
0.6777 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6762 Remote Similarity NPD226 Approved
0.6761 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6757 Remote Similarity NPD7609 Phase 3
0.6757 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6757 Remote Similarity NPD1239 Approved
0.6757 Remote Similarity NPD2296 Approved
0.6752 Remote Similarity NPD6647 Phase 2
0.675 Remote Similarity NPD2329 Discontinued
0.6748 Remote Similarity NPD7159 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   167093
ChEMBL   CHEMBL213237
ZINC  

Physicochemical Properties

Molecular Weight:  234.16
ALogP:  -2.366
MLogP:  2.89
XLogP:  5.002
# Rotatable Bonds:  10
Polar Surface Area:  37.3
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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