Natural Product: NPC4154

Natural Product ID:  NPC4154
Common Name:   Phloroglucinol
IUPAC Name:   benzene-1,3,5-triol
Synonyms:   Phloroglucinol; Spasfon; Spasfon-Lyoc
Molecular Formula:   C6H6O3
Standard InCHIKey:  QCDYQQDYXPDABM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
Canonical SMILES:  Oc1cc(O)cc(c1)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
NPO6836 Alpinia blepharocalyx Species Zingiberaceae Eukaryota Seeds Mengha, Yunnan Province, China 1991-AUG PMID[11277741]
NPO5930 Crambe tatarica Species Brassicaceae Eukaryota UNPD*
NPO2398 Millettia erythrocalyx Species Fabaceae Eukaryota UNPD*
NPO24390.1 Juniperus rigida var. conferta Varieties Cupressaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[20809621]
NPO21003 Cystoseira tamariscifolia Species Sargassaceae Eukaryota PMID[25640118]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota TCM_Taiwan*
NPO7352 Acacia arabica Species Fabaceae Eukaryota TCM_Taiwan*
NPO8928 Pteris semipinnata Species Pteridaceae Eukaryota UNPD*
NPO13585 Rapanea lancifolia Species Primulaceae Eukaryota UNPD*
NPO11848 Lemaireocereus griseus Species Cactaceae Eukaryota UNPD*
NPO25653 Spatholobus suberectus Species Fabaceae Eukaryota TCMSP*
NPO536 Dryopteris crassirhizoma Species Dryopteridaceae Eukaryota TM-MC*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO27567 Eisenia bicyclis Species Lessoniaceae Eukaryota PMID[20462757]
NPO25653 Spatholobus suberectus Species Fabaceae Eukaryota TM-MC*
NPO22789 Ecklonia cava Species Lessoniaceae Eukaryota PMID[23647823]
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota UNPD*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota PMID[16252923]
NPO252 Hoffmannia strigillosa Species Rubiaceae Eukaryota UNPD*
NPO13030 Artemisia dentata Species Asteraceae Eukaryota UNPD*
NPO12196 Buphane fischeri NA NA NA UNPD*
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota UNPD*
NPO13478 Scorzonera pseudodivaricata Species Asteraceae Eukaryota UNPD*
NPO10783 Syncarpia hillii Species Myrtaceae Eukaryota UNPD*
NPO21830 Buddleja cordata Species Scrophulariaceae Eukaryota UNPD*
NPO14578 Prorocentrum micans Species Prorocentraceae Eukaryota UNPD*
NPO1834 Atalantia racemosa Species Rutaceae Eukaryota UNPD*
NPO9313 Fritillaria ningguoensis Species Liliaceae Eukaryota UNPD*
NPO9934 Mycobacterium leprae Species Mycobacteriaceae Bacteria UNPD*
NPO12700 Diospyros eriantha Species Ebenaceae Eukaryota UNPD*
NPO3492 Negombata magnifica Species Latrunculiidae Eukaryota UNPD*
NPO12855 Alkanna cappadocica Species Boraginaceae Eukaryota UNPD*
NPO6360 Xenoacremonium recifei Species Nectriaceae Eukaryota UNPD*
NPO13671 Ononis vaginalis Species Fabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified ED50 = 26.4 nM 11277741
NPT453 Cell Line HT-1080 Homo sapiens ED50 = 20.9 nM 11277741
NPT2 Others Unspecified Ki = 8.86 nM 18423943
NPT2 Others Unspecified Ki = 8.77 nM 18423943
NPT2 Others Unspecified IC50 = 392500 nM 19201199
NPT2 Others Unspecified IC50 = 115200 nM 19201199
NPT2 Others Unspecified IC50 = 128900 nM 19201199
NPT740 Individual Protein Beta-secretase 1 Homo sapiens IC50 = 36470 nM 20462757
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 23778.1 nM PubChem BioAssay data set
NPT741 Individual Protein Tyrosinase Homo sapiens Activity = 81 % 23352755
NPT741 Individual Protein Tyrosinase Homo sapiens Activity = 75 % 23352755
NPT741 Individual Protein Tyrosinase Homo sapiens Activity = 133 % 23352755
NPT741 Individual Protein Tyrosinase Homo sapiens Activity = 95 % 23352755
NPT189 Cell Line Vero Chlorocebus aethiops CC50 > 200000 nM 23647823
NPT2 Others Unspecified IC50 > 200000 nM 23647823

  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 NPC4154 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
0.9868 High Similarity NPC270094
0.9146 High Similarity NPC280254
0.8824 High Similarity NPC288923
0.8816 High Similarity NPC100980
0.8621 High Similarity NPC295295
0.8608 High Similarity NPC65517
0.8523 High Similarity NPC16649
0.8293 Intermediate Similarity NPC204932
0.8242 Intermediate Similarity NPC291789
0.8152 Intermediate Similarity NPC80027
0.8065 Intermediate Similarity NPC248573
0.8065 Intermediate Similarity NPC166761
0.8065 Intermediate Similarity NPC10588
0.8065 Intermediate Similarity NPC275053
0.8065 Intermediate Similarity NPC161571
0.7979 Intermediate Similarity NPC166313
0.7979 Intermediate Similarity NPC11280
0.7979 Intermediate Similarity NPC147310
0.7979 Intermediate Similarity NPC294186
0.7979 Intermediate Similarity NPC143659
0.7979 Intermediate Similarity NPC100340
0.7979 Intermediate Similarity NPC284011
0.7979 Intermediate Similarity NPC137415
0.7979 Intermediate Similarity NPC24407
0.7979 Intermediate Similarity NPC192032
0.7979 Intermediate Similarity NPC72947
0.7955 Intermediate Similarity NPC47422
0.7895 Intermediate Similarity NPC146798
0.7895 Intermediate Similarity NPC53051
0.7895 Intermediate Similarity NPC71002
0.7895 Intermediate Similarity NPC242342
0.7895 Intermediate Similarity NPC168303
0.7895 Intermediate Similarity NPC313030
0.7895 Intermediate Similarity NPC302219
0.7895 Intermediate Similarity NPC106396
0.7895 Intermediate Similarity NPC222522
0.7895 Intermediate Similarity NPC24404
0.7895 Intermediate Similarity NPC94351
0.7895 Intermediate Similarity NPC249828
0.7895 Intermediate Similarity NPC85479
0.7865 Intermediate Similarity NPC302546
0.7848 Intermediate Similarity NPC215445
0.7812 Intermediate Similarity NPC119860
0.7812 Intermediate Similarity NPC227458
0.7812 Intermediate Similarity NPC244513
0.7812 Intermediate Similarity NPC241891
0.7812 Intermediate Similarity NPC30506
0.7812 Intermediate Similarity NPC102216
0.7812 Intermediate Similarity NPC218879
0.7778 Intermediate Similarity NPC47950
0.7778 Intermediate Similarity NPC300478
0.7732 Intermediate Similarity NPC134829
0.7732 Intermediate Similarity NPC37802
0.7732 Intermediate Similarity NPC474839
0.7732 Intermediate Similarity NPC246056
0.7732 Intermediate Similarity NPC292452
0.7732 Intermediate Similarity NPC307875
0.7711 Intermediate Similarity NPC322285
0.7701 Intermediate Similarity NPC124436
0.7701 Intermediate Similarity NPC265146
0.7701 Intermediate Similarity NPC38459
0.7701 Intermediate Similarity NPC319826
0.7701 Intermediate Similarity NPC33756
0.7653 Intermediate Similarity NPC109691
0.7653 Intermediate Similarity NPC118286
0.7653 Intermediate Similarity NPC302681
0.7653 Intermediate Similarity NPC232654
0.7653 Intermediate Similarity NPC470700
0.7653 Intermediate Similarity NPC39097
0.7653 Intermediate Similarity NPC248904
0.7653 Intermediate Similarity NPC39664
0.7653 Intermediate Similarity NPC12640
0.7653 Intermediate Similarity NPC164576
0.7653 Intermediate Similarity NPC201662
0.7653 Intermediate Similarity NPC473653
0.7653 Intermediate Similarity NPC99836
0.7614 Intermediate Similarity NPC286904
0.7614 Intermediate Similarity NPC150837
0.7614 Intermediate Similarity NPC248817
0.7614 Intermediate Similarity NPC175313
0.7576 Intermediate Similarity NPC232523
0.7576 Intermediate Similarity NPC305603
0.7576 Intermediate Similarity NPC124712
0.7576 Intermediate Similarity NPC204901
0.7576 Intermediate Similarity NPC158253
0.7576 Intermediate Similarity NPC176527
0.7576 Intermediate Similarity NPC54844
0.7576 Intermediate Similarity NPC61033
0.7556 Intermediate Similarity NPC157213
0.7556 Intermediate Similarity NPC104216
0.7528 Intermediate Similarity NPC197783
0.7528 Intermediate Similarity NPC155393
0.75 Intermediate Similarity NPC114392
0.75 Intermediate Similarity NPC187958
0.75 Intermediate Similarity NPC58427
0.75 Intermediate Similarity NPC61885
0.75 Intermediate Similarity NPC174981
0.75 Intermediate Similarity NPC105727
0.75 Intermediate Similarity NPC34864
0.75 Intermediate Similarity NPC63698
0.7447 Intermediate Similarity NPC313650
0.7444 Intermediate Similarity NPC407
0.7444 Intermediate Similarity NPC184169
0.7444 Intermediate Similarity NPC307235
0.7444 Intermediate Similarity NPC23167
0.7426 Intermediate Similarity NPC19808
0.7426 Intermediate Similarity NPC202647
0.7426 Intermediate Similarity NPC186385
0.7426 Intermediate Similarity NPC33728
0.7426 Intermediate Similarity NPC299568
0.7391 Intermediate Similarity NPC277758
0.7391 Intermediate Similarity NPC312304
0.7391 Intermediate Similarity NPC300017
0.7363 Intermediate Similarity NPC25493
0.7363 Intermediate Similarity NPC113460
0.7363 Intermediate Similarity NPC19680
0.7363 Intermediate Similarity NPC27974
0.7353 Intermediate Similarity NPC43411
0.7353 Intermediate Similarity NPC242178
0.7353 Intermediate Similarity NPC247871
0.7353 Intermediate Similarity NPC168657
0.7353 Intermediate Similarity NPC94045
0.7353 Intermediate Similarity NPC475018
0.7353 Intermediate Similarity NPC224870
0.7333 Intermediate Similarity NPC252149
0.7312 Intermediate Similarity NPC45040
0.7312 Intermediate Similarity NPC270547
0.7292 Intermediate Similarity NPC315921
0.7292 Intermediate Similarity NPC88420
0.7283 Intermediate Similarity NPC177420
0.7283 Intermediate Similarity NPC98772
0.7283 Intermediate Similarity NPC280347
0.7283 Intermediate Similarity NPC318325
0.7283 Intermediate Similarity NPC123273
0.7283 Intermediate Similarity NPC258219
0.7283 Intermediate Similarity NPC242240
0.7282 Intermediate Similarity NPC4493
0.7282 Intermediate Similarity NPC296920
0.7282 Intermediate Similarity NPC90520
0.7282 Intermediate Similarity NPC268032
0.7282 Intermediate Similarity NPC476632
0.7282 Intermediate Similarity NPC165770
0.7282 Intermediate Similarity NPC224527
0.7282 Intermediate Similarity NPC225679
0.7282 Intermediate Similarity NPC255068
0.7234 Intermediate Similarity NPC29373
0.7234 Intermediate Similarity NPC138117
0.7234 Intermediate Similarity NPC181709
0.7234 Intermediate Similarity NPC325292
0.7212 Intermediate Similarity NPC280606
0.7212 Intermediate Similarity NPC166995
0.7212 Intermediate Similarity NPC473521
0.7212 Intermediate Similarity NPC43525
0.7204 Intermediate Similarity NPC151764
0.7204 Intermediate Similarity NPC192
0.7204 Intermediate Similarity NPC55561
0.72 Intermediate Similarity NPC471350
0.7172 Intermediate Similarity NPC168393
0.7158 Intermediate Similarity NPC128062
0.7158 Intermediate Similarity NPC32977
0.7158 Intermediate Similarity NPC81010
0.7158 Intermediate Similarity NPC114325
0.7158 Intermediate Similarity NPC151715
0.7143 Intermediate Similarity NPC62546
0.7143 Intermediate Similarity NPC98543
0.7143 Intermediate Similarity NPC23804
0.7143 Intermediate Similarity NPC223004
0.7143 Intermediate Similarity NPC261343
0.7143 Intermediate Similarity NPC263753
0.7143 Intermediate Similarity NPC319803
0.7143 Intermediate Similarity NPC162113
0.7143 Intermediate Similarity NPC130103
0.7143 Intermediate Similarity NPC117846
0.7128 Intermediate Similarity NPC155908
0.7128 Intermediate Similarity NPC204210
0.7128 Intermediate Similarity NPC174048
0.7128 Intermediate Similarity NPC231150
0.7128 Intermediate Similarity NPC306074
0.7128 Intermediate Similarity NPC304541
0.7128 Intermediate Similarity NPC322888
0.7126 Intermediate Similarity NPC124576
0.7097 Intermediate Similarity NPC70436
0.7083 Intermediate Similarity NPC246679
0.7083 Intermediate Similarity NPC107522
0.7083 Intermediate Similarity NPC274678
0.7083 Intermediate Similarity NPC26244
0.7083 Intermediate Similarity NPC257182
0.7083 Intermediate Similarity NPC286006
0.7075 Intermediate Similarity NPC276737
0.7075 Intermediate Similarity NPC22610
0.7075 Intermediate Similarity NPC107240
0.7075 Intermediate Similarity NPC118288
0.7075 Intermediate Similarity NPC276111
0.7075 Intermediate Similarity NPC228287
0.7075 Intermediate Similarity NPC180508
0.7053 Intermediate Similarity NPC306884
0.7053 Intermediate Similarity NPC3358
0.7053 Intermediate Similarity NPC147284
0.7053 Intermediate Similarity NPC210497
0.7053 Intermediate Similarity NPC55903

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC4154 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
1.0 High Similarity NPD9093 Approved
0.9868 High Similarity NPD9089 Approved
0.9146 High Similarity NPD9094 Approved
0.8816 High Similarity NPD9087 Approved
0.8608 High Similarity NPD9088 Approved
0.8065 Intermediate Similarity NPD1242 Phase 1
0.7979 Intermediate Similarity NPD846 Approved
0.7979 Intermediate Similarity NPD940 Approved
0.7701 Intermediate Similarity NPD9073 Approved
0.7701 Intermediate Similarity NPD111 Approved
0.7556 Intermediate Similarity NPD9295 Approved
0.7426 Intermediate Similarity NPD4750 Phase 3
0.7292 Intermediate Similarity NPD9273 Approved
0.7158 Intermediate Similarity NPD9296 Approved
0.7158 Intermediate Similarity NPD2933 Approved
0.7158 Intermediate Similarity NPD2934 Approved
0.7083 Intermediate Similarity NPD2860 Approved
0.7083 Intermediate Similarity NPD2859 Approved
0.6979 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6939 Remote Similarity NPD68 Approved
0.6939 Remote Similarity NPD9097 Approved
0.6939 Remote Similarity NPD9095 Approved
0.6939 Remote Similarity NPD9096 Approved
0.6907 Remote Similarity NPD844 Approved
0.6875 Remote Similarity NPD845 Approved
0.6869 Remote Similarity NPD3020 Approved
0.6842 Remote Similarity NPD9365 Approved
0.6837 Remote Similarity NPD288 Approved
0.6818 Remote Similarity NPD1548 Phase 1
0.68 Remote Similarity NPD289 Clinical (unspecified phase)
0.6735 Remote Similarity NPD1809 Phase 2
0.6731 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9266 Approved
0.6667 Remote Similarity NPD74 Approved
0.6604 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6591 Remote Similarity NPD9294 Approved
0.6579 Remote Similarity NPD1610 Phase 2
0.6579 Remote Similarity NPD422 Phase 1
0.6571 Remote Similarity NPD9267 Approved
0.6571 Remote Similarity NPD9263 Approved
0.6571 Remote Similarity NPD9264 Approved
0.6569 Remote Similarity NPD291 Approved
0.6542 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6522 Remote Similarity NPD9269 Phase 2
0.6505 Remote Similarity NPD9500 Approved
0.6476 Remote Similarity NPD968 Approved
0.6466 Remote Similarity NPD4749 Approved
0.646 Remote Similarity NPD9268 Approved
0.6442 Remote Similarity NPD9608 Approved
0.6442 Remote Similarity NPD9610 Approved
0.6415 Remote Similarity NPD9507 Approved
0.6321 Remote Similarity NPD1445 Approved
0.6321 Remote Similarity NPD1444 Approved
0.6306 Remote Similarity NPD1476 Clinical (unspecified phase)
0.6303 Remote Similarity NPD602 Approved
0.6303 Remote Similarity NPD858 Approved
0.6303 Remote Similarity NPD859 Approved
0.6303 Remote Similarity NPD599 Approved
0.6296 Remote Similarity NPD3022 Approved
0.6296 Remote Similarity NPD3021 Approved
0.6262 Remote Similarity NPD290 Approved
0.6262 Remote Similarity NPD9552 Approved
0.625 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6198 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6198 Remote Similarity NPD4908 Phase 1
0.6195 Remote Similarity NPD9493 Approved
0.619 Remote Similarity NPD9261 Approved
0.6182 Remote Similarity NPD228 Approved
0.6167 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6161 Remote Similarity NPD9281 Approved
0.6154 Remote Similarity NPD3028 Approved
0.6148 Remote Similarity NPD4625 Phase 3
0.6148 Remote Similarity NPD3027 Phase 3
0.6147 Remote Similarity NPD1792 Phase 2
0.614 Remote Similarity NPD1408 Clinical (unspecified phase)
0.614 Remote Similarity NPD318 Approved
0.614 Remote Similarity NPD317 Approved
0.614 Remote Similarity NPD856 Approved
0.614 Remote Similarity NPD16 Approved
0.6132 Remote Similarity NPD9501 Approved
0.6132 Remote Similarity NPD9244 Approved
0.6126 Remote Similarity NPD9379 Approved
0.6126 Remote Similarity NPD9377 Approved
0.6111 Remote Similarity NPD2342 Discontinued
0.6098 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6098 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6091 Remote Similarity NPD9376 Approved
0.6087 Remote Similarity NPD9545 Approved
0.6087 Remote Similarity NPD7533 Approved
0.6087 Remote Similarity NPD7534 Approved
0.6087 Remote Similarity NPD1759 Phase 1
0.6071 Remote Similarity NPD2234 Approved
0.6071 Remote Similarity NPD2229 Approved
0.6071 Remote Similarity NPD2228 Approved
0.6036 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6018 Remote Similarity NPD9614 Approved
0.6018 Remote Similarity NPD9299 Approved
0.6018 Remote Similarity NPD9618 Approved
0.6017 Remote Similarity NPD1091 Approved
0.6 Remote Similarity NPD1555 Discontinued
0.6 Remote Similarity NPD1240 Approved
0.6 Remote Similarity NPD943 Approved
0.6 Remote Similarity NPD1758 Phase 1
0.6 Remote Similarity NPD556 Approved
0.6 Remote Similarity NPD468 Phase 1
0.6 Remote Similarity NPD1613 Approved
0.6 Remote Similarity NPD1612 Clinical (unspecified phase)
0.5983 Remote Similarity NPD9384 Approved
0.5983 Remote Similarity NPD9381 Approved
0.5983 Remote Similarity NPD5238 Clinical (unspecified phase)
0.5982 Remote Similarity NPD7635 Approved
0.5982 Remote Similarity NPD1105 Clinical (unspecified phase)
0.5965 Remote Similarity NPD6671 Approved
0.5965 Remote Similarity NPD9342 Approved
0.5965 Remote Similarity NPD255 Approved
0.5965 Remote Similarity NPD256 Approved
0.5957 Remote Similarity NPD9250 Approved
0.5952 Remote Similarity NPD230 Phase 1
0.595 Remote Similarity NPD1135 Approved
0.595 Remote Similarity NPD1133 Approved
0.595 Remote Similarity NPD1134 Approved
0.595 Remote Similarity NPD1129 Approved
0.595 Remote Similarity NPD1131 Approved
0.5929 Remote Similarity NPD7159 Clinical (unspecified phase)
0.5917 Remote Similarity NPD2982 Phase 2
0.5917 Remote Similarity NPD2983 Phase 2
0.5913 Remote Similarity NPD405 Clinical (unspecified phase)
0.5913 Remote Similarity NPD9568 Approved
0.5909 Remote Similarity NPD2684 Approved
0.5906 Remote Similarity NPD2568 Approved
0.5906 Remote Similarity NPD1607 Approved
0.59 Remote Similarity NPD9256 Approved
0.59 Remote Similarity NPD9258 Approved
0.5882 Remote Similarity NPD1201 Approved
0.5877 Remote Similarity NPD911 Approved
0.5877 Remote Similarity NPD1793 Approved
0.5877 Remote Similarity NPD1791 Approved
0.5862 Remote Similarity NPD9616 Approved
0.5862 Remote Similarity NPD9613 Approved
0.5862 Remote Similarity NPD9615 Approved
0.5841 Remote Similarity NPD821 Approved
0.584 Remote Similarity NPD6859 Clinical (unspecified phase)
0.5833 Remote Similarity NPD2562 Approved
0.5833 Remote Similarity NPD2981 Phase 2
0.5833 Remote Similarity NPD2561 Approved
0.5814 Remote Similarity NPD1509 Clinical (unspecified phase)
0.5814 Remote Similarity NPD651 Clinical (unspecified phase)
0.5814 Remote Similarity NPD1510 Phase 2
0.5812 Remote Similarity NPD3091 Approved
0.5812 Remote Similarity NPD316 Approved
0.5785 Remote Similarity NPD4659 Approved
0.5785 Remote Similarity NPD9622 Approved
0.5784 Remote Similarity NPD159 Clinical (unspecified phase)
0.578 Remote Similarity NPD9697 Approved
0.5769 Remote Similarity NPD6100 Approved
0.5769 Remote Similarity NPD6099 Approved
0.5769 Remote Similarity NPD1551 Phase 2
0.575 Remote Similarity NPD3092 Approved
0.5739 Remote Similarity NPD475 Phase 2
0.5738 Remote Similarity NPD3225 Approved
0.5727 Remote Similarity NPD3134 Approved
0.5726 Remote Similarity NPD3018 Phase 2
0.5726 Remote Similarity NPD313 Approved
0.5725 Remote Similarity NPD1552 Clinical (unspecified phase)
0.5725 Remote Similarity NPD1550 Clinical (unspecified phase)
0.5714 Remote Similarity NPD3019 Approved
0.5714 Remote Similarity NPD2932 Approved
0.5714 Remote Similarity NPD4059 Approved
0.5714 Remote Similarity NPD2286 Discontinued
0.5702 Remote Similarity NPD7843 Approved
0.5702 Remote Similarity NPD9717 Approved
0.5691 Remote Similarity NPD3094 Phase 2
0.5691 Remote Similarity NPD1164 Approved
0.5691 Remote Similarity NPD4103 Phase 2
0.5691 Remote Similarity NPD4339 Clinical (unspecified phase)
0.5691 Remote Similarity NPD4104 Clinical (unspecified phase)
0.5691 Remote Similarity NPD1203 Approved
0.5691 Remote Similarity NPD1470 Approved
0.569 Remote Similarity NPD191 Approved
0.5682 Remote Similarity NPD1549 Phase 2
0.5682 Remote Similarity NPD970 Clinical (unspecified phase)
0.5678 Remote Similarity NPD2226 Clinical (unspecified phase)
0.5678 Remote Similarity NPD5303 Approved
0.5678 Remote Similarity NPD7330 Discontinued
0.5678 Remote Similarity NPD5304 Approved
0.5676 Remote Similarity NPD1358 Approved
0.5669 Remote Similarity NPD6405 Approved
0.5669 Remote Similarity NPD6407 Approved
0.5667 Remote Similarity NPD915 Approved
0.5667 Remote Similarity NPD3421 Phase 3
0.566 Remote Similarity NPD9495 Approved
0.5645 Remote Similarity NPD9619 Approved
0.5645 Remote Similarity NPD1469 Clinical (unspecified phase)
0.5645 Remote Similarity NPD9621 Approved
0.5645 Remote Similarity NPD9620 Approved
0.5631 Remote Similarity NPD9251 Approved
0.563 Remote Similarity NPD4196 Clinical (unspecified phase)
0.563 Remote Similarity NPD1357 Approved
0.563 Remote Similarity NPD4235 Clinical (unspecified phase)
0.563 Remote Similarity NPD4093 Discontinued

Structure

External Identifiers

PubChem CID   359
ChEMBL   CHEMBL473159
ZINC  

Physicochemical Properties

Molecular Weight:  126.03
ALogP:  -1.3809
MLogP:  1.79
XLogP:  -0.093
# Rotatable Bonds:  3
Polar Surface Area:  60.69
# H-Bond Aceptor:  0
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  9

Download Data

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Biological Activities  
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