Natural Product: NPC132725

Natural Product ID:  NPC132725
Common Name:   2-Phenoxyacetic Acid
IUPAC Name:   2-phenoxyacetic acid
Synonyms:   Phenoxy-Acetic Acid
Molecular Formula:   C8H8O3
Standard InCHIKey:  LCPDWSOZIOUXRV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
Canonical SMILES:  OC(=O)COc1ccccc1
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
NPO14234 Aspergillus niger Species Aspergillaceae Eukaryota Phytochemistry,1988,27(10): 3169-3173

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 100 nM PubChem BioAssay data set
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT546 Individual Protein Retinoid X receptor alpha Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 9285 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 100000 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 70794.6 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 1852.6 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 231.1 nM PubChem BioAssay data set
NPT103 Individual Protein Nuclear receptor ROR-gamma Homo sapiens Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Inhibition = 98.5 % 23682762
NPT2 Others Unspecified IC50 = 53300 nM 23682762
NPT2 Others Unspecified Potency 44990.2 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 125892.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11301 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28169.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 56639.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25105.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54941 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 138 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 1819700.86 nM 458816
NPT2 Others Unspecified Potency 5.3 nM PubChem BioAssay data set

  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 NPC132725 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
0.9485 High Similarity NPC17537
0.9032 High Similarity NPC318429
0.84 Intermediate Similarity NPC307039
0.84 Intermediate Similarity NPC314803
0.8198 Intermediate Similarity NPC204617
0.8148 Intermediate Similarity NPC266116
0.8077 Intermediate Similarity NPC283546
0.8 Intermediate Similarity NPC125306
0.8 Intermediate Similarity NPC473855
0.8 Intermediate Similarity NPC128730
0.7961 Intermediate Similarity NPC107101
0.7946 Intermediate Similarity NPC161768
0.7938 Intermediate Similarity NPC206876
0.7925 Intermediate Similarity NPC41594
0.7925 Intermediate Similarity NPC176971
0.7885 Intermediate Similarity NPC307425
0.7876 Intermediate Similarity NPC101503
0.785 Intermediate Similarity NPC194034
0.785 Intermediate Similarity NPC157473
0.785 Intermediate Similarity NPC151530
0.7849 Intermediate Similarity NPC124576
0.7822 Intermediate Similarity NPC114325
0.7812 Intermediate Similarity NPC23837
0.781 Intermediate Similarity NPC179686
0.7778 Intermediate Similarity NPC291837
0.7736 Intermediate Similarity NPC2518
0.7727 Intermediate Similarity NPC245552
0.7714 Intermediate Similarity NPC51633
0.7706 Intermediate Similarity NPC149545
0.7679 Intermediate Similarity NPC235250
0.7677 Intermediate Similarity NPC157213
0.7664 Intermediate Similarity NPC288760
0.7664 Intermediate Similarity NPC473393
0.7664 Intermediate Similarity NPC238115
0.7664 Intermediate Similarity NPC227255
0.7652 Intermediate Similarity NPC37858
0.7642 Intermediate Similarity NPC192596
0.7636 Intermediate Similarity NPC88868
0.7636 Intermediate Similarity NPC46844
0.7636 Intermediate Similarity NPC25067
0.7636 Intermediate Similarity NPC231251
0.7593 Intermediate Similarity NPC326447
0.7589 Intermediate Similarity NPC303522
0.757 Intermediate Similarity NPC38079
0.757 Intermediate Similarity NPC109637
0.757 Intermediate Similarity NPC108875
0.7565 Intermediate Similarity NPC124916
0.7524 Intermediate Similarity NPC171843
0.7522 Intermediate Similarity NPC142319
0.75 Intermediate Similarity NPC470393
0.75 Intermediate Similarity NPC115379
0.75 Intermediate Similarity NPC8302
0.75 Intermediate Similarity NPC139891
0.7477 Intermediate Similarity NPC141068
0.7458 Intermediate Similarity NPC272487
0.7436 Intermediate Similarity NPC202474
0.7434 Intermediate Similarity NPC301735
0.7434 Intermediate Similarity NPC311987
0.7431 Intermediate Similarity NPC473653
0.7429 Intermediate Similarity NPC95755
0.7429 Intermediate Similarity NPC313918
0.7426 Intermediate Similarity NPC302546
0.7414 Intermediate Similarity NPC159916
0.7411 Intermediate Similarity NPC55300
0.7387 Intermediate Similarity NPC234639
0.7387 Intermediate Similarity NPC259554
0.7373 Intermediate Similarity NPC204466
0.7368 Intermediate Similarity NPC294941
0.7364 Intermediate Similarity NPC258171
0.7358 Intermediate Similarity NPC471576
0.7358 Intermediate Similarity NPC100870
0.735 Intermediate Similarity NPC244293
0.7345 Intermediate Similarity NPC165646
0.7339 Intermediate Similarity NPC307875
0.7328 Intermediate Similarity NPC9248
0.7327 Intermediate Similarity NPC47422
0.7321 Intermediate Similarity NPC229387
0.7317 Intermediate Similarity NPC110313
0.7315 Intermediate Similarity NPC304638
0.7311 Intermediate Similarity NPC70752
0.7308 Intermediate Similarity NPC16649
0.7304 Intermediate Similarity NPC51345
0.7295 Intermediate Similarity NPC233559
0.729 Intermediate Similarity NPC13755
0.7288 Intermediate Similarity NPC2058
0.7288 Intermediate Similarity NPC193193
0.7288 Intermediate Similarity NPC31314
0.7273 Intermediate Similarity NPC1065
0.7265 Intermediate Similarity NPC164706
0.7265 Intermediate Similarity NPC272471
0.7265 Intermediate Similarity NPC228907
0.7265 Intermediate Similarity NPC107588
0.7265 Intermediate Similarity NPC137537
0.7265 Intermediate Similarity NPC70744
0.7264 Intermediate Similarity NPC175298
0.7257 Intermediate Similarity NPC233238
0.7255 Intermediate Similarity NPC99886
0.7255 Intermediate Similarity NPC177844
0.7255 Intermediate Similarity NPC259134
0.7255 Intermediate Similarity NPC8002
0.7241 Intermediate Similarity NPC154256
0.7241 Intermediate Similarity NPC33717
0.7241 Intermediate Similarity NPC328451
0.7241 Intermediate Similarity NPC290470
0.7236 Intermediate Similarity NPC140750
0.7227 Intermediate Similarity NPC307253
0.7227 Intermediate Similarity NPC267064
0.7222 Intermediate Similarity NPC84325
0.7217 Intermediate Similarity NPC87563
0.7207 Intermediate Similarity NPC227894
0.7207 Intermediate Similarity NPC251306
0.7193 Intermediate Similarity NPC280760
0.7193 Intermediate Similarity NPC48525
0.7193 Intermediate Similarity NPC199462
0.7184 Intermediate Similarity NPC71853
0.7182 Intermediate Similarity NPC127676
0.7177 Intermediate Similarity NPC198487
0.7177 Intermediate Similarity NPC146540
0.7156 Intermediate Similarity NPC305205
0.7155 Intermediate Similarity NPC296526
0.7143 Intermediate Similarity NPC60589
0.7143 Intermediate Similarity NPC469708
0.7143 Intermediate Similarity NPC206341
0.7131 Intermediate Similarity NPC146886
0.7131 Intermediate Similarity NPC20443
0.7131 Intermediate Similarity NPC60517
0.7131 Intermediate Similarity NPC246704
0.713 Intermediate Similarity NPC253746
0.713 Intermediate Similarity NPC109241
0.712 Intermediate Similarity NPC295970
0.712 Intermediate Similarity NPC241354
0.7119 Intermediate Similarity NPC293424
0.7119 Intermediate Similarity NPC277460
0.7119 Intermediate Similarity NPC205502
0.7115 Intermediate Similarity NPC321956
0.7107 Intermediate Similarity NPC291189
0.7107 Intermediate Similarity NPC69403
0.7105 Intermediate Similarity NPC266932
0.7105 Intermediate Similarity NPC78918
0.7105 Intermediate Similarity NPC139617
0.7097 Intermediate Similarity NPC473993
0.7094 Intermediate Similarity NPC128633
0.7094 Intermediate Similarity NPC163398
0.7083 Intermediate Similarity NPC269242
0.7083 Intermediate Similarity NPC198734
0.7083 Intermediate Similarity NPC469412
0.708 Intermediate Similarity NPC209111
0.708 Intermediate Similarity NPC246358
0.708 Intermediate Similarity NPC7097
0.708 Intermediate Similarity NPC233731
0.708 Intermediate Similarity NPC36108
0.7073 Intermediate Similarity NPC289459
0.7073 Intermediate Similarity NPC27352
0.7073 Intermediate Similarity NPC88403
0.7073 Intermediate Similarity NPC52035
0.7073 Intermediate Similarity NPC280767
0.7069 Intermediate Similarity NPC217472
0.7064 Intermediate Similarity NPC310905
0.7064 Intermediate Similarity NPC12714
0.7064 Intermediate Similarity NPC94343
0.7063 Intermediate Similarity NPC470079
0.7059 Intermediate Similarity NPC163036
0.7059 Intermediate Similarity NPC264976
0.7059 Intermediate Similarity NPC234956
0.7059 Intermediate Similarity NPC57501
0.7059 Intermediate Similarity NPC281356
0.7059 Intermediate Similarity NPC98748
0.7054 Intermediate Similarity NPC124712
0.7054 Intermediate Similarity NPC320259
0.7054 Intermediate Similarity NPC260952
0.7049 Intermediate Similarity NPC279379
0.7049 Intermediate Similarity NPC21238
0.7034 Intermediate Similarity NPC107482
0.7034 Intermediate Similarity NPC263754
0.7034 Intermediate Similarity NPC39793
0.7034 Intermediate Similarity NPC183154
0.7025 Intermediate Similarity NPC177291
0.7025 Intermediate Similarity NPC57751
0.7025 Intermediate Similarity NPC194416
0.7025 Intermediate Similarity NPC226712
0.7018 Intermediate Similarity NPC137685
0.7018 Intermediate Similarity NPC473809
0.7018 Intermediate Similarity NPC179309
0.7016 Intermediate Similarity NPC120225
0.7016 Intermediate Similarity NPC213552
0.7009 Intermediate Similarity NPC322358
0.7008 Intermediate Similarity NPC104854
0.7008 Intermediate Similarity NPC29734
0.7 Intermediate Similarity NPC471504
0.7 Intermediate Similarity NPC298224
0.7 Intermediate Similarity NPC473290
0.7 Intermediate Similarity NPC474874
0.7 Intermediate Similarity NPC14177
0.6992 Remote Similarity NPC221798
0.6983 Remote Similarity NPC95381
0.6983 Remote Similarity NPC90903
0.6981 Remote Similarity NPC471581
0.6975 Remote Similarity NPC212743
0.6975 Remote Similarity NPC152159
0.6975 Remote Similarity NPC265547

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC132725 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
0.9032 High Similarity NPD9365 Approved
0.8318 Intermediate Similarity NPD769 Approved
0.8235 Intermediate Similarity NPD291 Approved
0.8077 Intermediate Similarity NPD9501 Approved
0.787 Intermediate Similarity NPD556 Approved
0.785 Intermediate Similarity NPD290 Approved
0.785 Intermediate Similarity NPD9552 Approved
0.785 Intermediate Similarity NPD1358 Approved
0.7822 Intermediate Similarity NPD9296 Approved
0.7778 Intermediate Similarity NPD2684 Approved
0.7677 Intermediate Similarity NPD9295 Approved
0.7593 Intermediate Similarity NPD3134 Approved
0.75 Intermediate Similarity NPD9697 Approved
0.75 Intermediate Similarity NPD7843 Approved
0.75 Intermediate Similarity NPD987 Approved
0.748 Intermediate Similarity NPD6798 Discontinued
0.7456 Intermediate Similarity NPD191 Approved
0.7431 Intermediate Similarity NPD968 Approved
0.7419 Intermediate Similarity NPD4062 Phase 3
0.7419 Intermediate Similarity NPD6233 Phase 2
0.736 Intermediate Similarity NPD4060 Phase 1
0.7339 Intermediate Similarity NPD1048 Approved
0.7304 Intermediate Similarity NPD7157 Approved
0.7302 Intermediate Similarity NPD4340 Discontinued
0.7302 Intermediate Similarity NPD6355 Discontinued
0.7295 Intermediate Similarity NPD5647 Approved
0.7288 Intermediate Similarity NPD1778 Approved
0.7265 Intermediate Similarity NPD1894 Discontinued
0.7258 Intermediate Similarity NPD7095 Approved
0.7227 Intermediate Similarity NPD3496 Discontinued
0.7193 Intermediate Similarity NPD5535 Approved
0.712 Intermediate Similarity NPD2598 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD1501 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1797 Approved
0.7059 Intermediate Similarity NPD1798 Approved
0.7059 Intermediate Similarity NPD5585 Approved
0.7043 Intermediate Similarity NPD821 Approved
0.7034 Intermediate Similarity NPD9092 Discovery
0.7025 Intermediate Similarity NPD1091 Approved
0.7023 Intermediate Similarity NPD5763 Approved
0.7023 Intermediate Similarity NPD5762 Approved
0.7 Intermediate Similarity NPD6516 Phase 2
0.7 Intermediate Similarity NPD5846 Approved
0.6983 Remote Similarity NPD1241 Discontinued
0.697 Remote Similarity NPD4534 Discontinued
0.697 Remote Similarity NPD2030 Discontinued
0.697 Remote Similarity NPD5958 Discontinued
0.6957 Remote Similarity NPD228 Approved
0.6935 Remote Similarity NPD6362 Approved
0.6903 Remote Similarity NPD9624 Approved
0.6903 Remote Similarity NPD5373 Approved
0.6903 Remote Similarity NPD5374 Approved
0.6885 Remote Similarity NPD422 Phase 1
0.6885 Remote Similarity NPD1535 Discovery
0.687 Remote Similarity NPD2673 Approved
0.687 Remote Similarity NPD2671 Approved
0.6846 Remote Similarity NPD6653 Approved
0.6842 Remote Similarity NPD9087 Approved
0.6829 Remote Similarity NPD1608 Approved
0.6829 Remote Similarity NPD1481 Phase 2
0.6829 Remote Similarity NPD9717 Approved
0.6825 Remote Similarity NPD454 Approved
0.681 Remote Similarity NPD969 Suspended
0.68 Remote Similarity NPD3827 Clinical (unspecified phase)
0.6777 Remote Similarity NPD5691 Approved
0.6774 Remote Similarity NPD4359 Approved
0.675 Remote Similarity NPD1408 Clinical (unspecified phase)
0.675 Remote Similarity NPD1103 Approved
0.675 Remote Similarity NPD1102 Approved
0.675 Remote Similarity NPD254 Approved
0.6748 Remote Similarity NPD776 Approved
0.6735 Remote Similarity NPD9088 Approved
0.6721 Remote Similarity NPD17 Approved
0.6721 Remote Similarity NPD4626 Approved
0.672 Remote Similarity NPD3225 Approved
0.6719 Remote Similarity NPD5163 Phase 2
0.6715 Remote Similarity NPD6799 Approved
0.6694 Remote Similarity NPD7534 Approved
0.6694 Remote Similarity NPD1548 Phase 1
0.6694 Remote Similarity NPD7533 Approved
0.6692 Remote Similarity NPD2239 Approved
0.6692 Remote Similarity NPD2240 Approved
0.6667 Remote Similarity NPD1794 Approved
0.6667 Remote Similarity NPD1203 Approved
0.6667 Remote Similarity NPD3847 Discontinued
0.6667 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1820 Approved
0.6667 Remote Similarity NPD7097 Phase 1
0.6667 Remote Similarity NPD3536 Discontinued
0.6667 Remote Similarity NPD2797 Approved
0.6667 Remote Similarity NPD1818 Approved
0.6667 Remote Similarity NPD5401 Approved
0.6667 Remote Similarity NPD1819 Approved
0.6667 Remote Similarity NPD1817 Approved
0.6667 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6642 Remote Similarity NPD3656 Approved
0.6639 Remote Similarity NPD9299 Approved
0.6639 Remote Similarity NPD1357 Approved
0.6639 Remote Similarity NPD690 Clinical (unspecified phase)
0.6615 Remote Similarity NPD5745 Approved
0.6614 Remote Similarity NPD1019 Discontinued
0.6613 Remote Similarity NPD1611 Approved
0.6593 Remote Similarity NPD2897 Discontinued
0.6583 Remote Similarity NPD6671 Approved
0.6583 Remote Similarity NPD4198 Discontinued
0.6571 Remote Similarity NPD5403 Approved
0.6569 Remote Similarity NPD2354 Approved
0.6567 Remote Similarity NPD6032 Approved
0.6565 Remote Similarity NPD4140 Approved
0.6565 Remote Similarity NPD756 Suspended
0.6562 Remote Similarity NPD5266 Clinical (unspecified phase)
0.6562 Remote Similarity NPD2250 Discontinued
0.6557 Remote Similarity NPD9545 Approved
0.6557 Remote Similarity NPD1182 Approved
0.6544 Remote Similarity NPD1652 Phase 2
0.6535 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6535 Remote Similarity NPD2082 Clinical (unspecified phase)
0.6532 Remote Similarity NPD155 Clinical (unspecified phase)
0.6532 Remote Similarity NPD915 Approved
0.6515 Remote Similarity NPD447 Suspended
0.6512 Remote Similarity NPD2614 Approved
0.6512 Remote Similarity NPD6832 Phase 2
0.6508 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6508 Remote Similarity NPD3685 Discontinued
0.6496 Remote Similarity NPD4628 Phase 3
0.6486 Remote Similarity NPD9495 Approved
0.648 Remote Similarity NPD1610 Phase 2
0.648 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6475 Remote Similarity NPD5536 Phase 2
0.6471 Remote Similarity NPD9089 Approved
0.6462 Remote Similarity NPD3180 Approved
0.6462 Remote Similarity NPD3165 Approved
0.6462 Remote Similarity NPD5746 Approved
0.6462 Remote Similarity NPD3179 Approved
0.6462 Remote Similarity NPD3164 Approved
0.6462 Remote Similarity NPD3166 Approved
0.6462 Remote Similarity NPD3167 Approved
0.6457 Remote Similarity NPD196 Phase 1
0.6457 Remote Similarity NPD1283 Approved
0.6457 Remote Similarity NPD8651 Approved
0.6452 Remote Similarity NPD2423 Clinical (unspecified phase)
0.6449 Remote Similarity NPD3887 Approved
0.6446 Remote Similarity NPD2557 Approved
0.6434 Remote Similarity NPD6599 Discontinued
0.6434 Remote Similarity NPD2237 Approved
0.6434 Remote Similarity NPD9494 Approved
0.6429 Remote Similarity NPD2235 Phase 2
0.6429 Remote Similarity NPD2231 Phase 2
0.6417 Remote Similarity NPD592 Approved
0.6417 Remote Similarity NPD5283 Phase 1
0.6417 Remote Similarity NPD594 Approved
0.6415 Remote Similarity NPD9094 Approved
0.6412 Remote Similarity NPD3268 Approved
0.6412 Remote Similarity NPD3374 Clinical (unspecified phase)
0.6406 Remote Similarity NPD3266 Approved
0.6406 Remote Similarity NPD3267 Approved
0.64 Remote Similarity NPD3447 Discontinued
0.6397 Remote Similarity NPD2353 Approved
0.6397 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6393 Remote Similarity NPD9493 Approved
0.6393 Remote Similarity NPD3596 Phase 2
0.6391 Remote Similarity NPD1933 Approved
0.6389 Remote Similarity NPD958 Approved
0.6378 Remote Similarity NPD6582 Phase 2
0.6378 Remote Similarity NPD6583 Phase 3
0.6377 Remote Similarity NPD4110 Phase 3
0.6377 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6377 Remote Similarity NPD7835 Discontinued
0.6373 Remote Similarity NPD9093 Approved
0.6371 Remote Similarity NPD6382 Discontinued
0.637 Remote Similarity NPD7033 Discontinued
0.637 Remote Similarity NPD2164 Clinical (unspecified phase)
0.6364 Remote Similarity NPD1901 Discontinued
0.6364 Remote Similarity NPD3162 Approved
0.6364 Remote Similarity NPD4870 Approved
0.6364 Remote Similarity NPD3163 Approved
0.6364 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6364 Remote Similarity NPD1423 Approved
0.6356 Remote Similarity NPD5451 Approved
0.6356 Remote Similarity NPD2067 Discontinued
0.6349 Remote Similarity NPD1281 Approved
0.6333 Remote Similarity NPD1138 Approved
0.6324 Remote Similarity NPD5712 Approved
0.6324 Remote Similarity NPD4477 Approved
0.6324 Remote Similarity NPD4476 Approved
0.6324 Remote Similarity NPD1551 Phase 2
0.6321 Remote Similarity NPD1282 Approved
0.6316 Remote Similarity NPD3597 Clinical (unspecified phase)
0.6316 Remote Similarity NPD1613 Approved
0.6316 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6316 Remote Similarity NPD1393 Approved
0.6316 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6312 Remote Similarity NPD3146 Approved
0.6312 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6311 Remote Similarity NPD709 Approved
0.6301 Remote Similarity NPD3465 Clinical (unspecified phase)
0.6301 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6299 Remote Similarity NPD1840 Phase 2
0.6294 Remote Similarity NPD4003 Phase 3
0.629 Remote Similarity NPD6581 Approved

Structure

External Identifiers

PubChem CID   19188
ChEMBL   CHEMBL173521
ZINC  

Physicochemical Properties

Molecular Weight:  152.05
ALogP:  -0.5957
MLogP:  2.01
XLogP:  1.945
# Rotatable Bonds:  4
Polar Surface Area:  46.53
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  11

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs