Natural Product: NPC67076

Natural Product ID:  NPC67076
Common Name:   Prostaglandin A2
IUPAC Name:   (Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
Synonyms:  
Molecular Formula:   C20H30O4
Standard InCHIKey:  MYHXHCUNDDAEOZ-FOSBLDSVSA-N
Standard InCHI:  InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1
Canonical SMILES:  CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=CCCCC(=O)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
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[1153801]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT346 Individual Protein Transient receptor potential cation channel subfamily A member 1 Homo sapiens EC50 = 24000 nM 20356305
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 7.9 nM PubChem BioAssay data set
NPT2570 Individual Protein Protein-tyrosine phosphatase LC-PTP Homo sapiens IC50 = 13700 nM PubChem BioAssay data set
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT791 Individual Protein Cruzipain Trypanosoma cruzi Potency = 10000 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 35481.3 nM PubChem BioAssay data set
NPT211 Individual Protein Hypoxia-inducible factor 1 alpha Homo sapiens Potency = 2511.9 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 39810.7 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 89125.1 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 56234.1 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 > 20000 nM PubChem BioAssay data set
NPT54 Individual Protein Nonstructural protein 1 Influenza A virus Potency = 354.8 nM PubChem BioAssay data set
NPT56 Individual Protein Beta-lactamase AmpC Escherichia coli K-12 Potency = 14125.4 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 2818.4 nM PubChem BioAssay data set
NPT59 Individual Protein DNA polymerase beta Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 30131.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 651.3 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Potency 2592.9 nM PubChem BioAssay data set
NPT1594 Individual Protein Multidrug resistance-associated protein 1 Homo sapiens Activity = 9 % 9426231

  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 NPC67076 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
1.0 High Similarity NPC319163
0.9167 High Similarity NPC192006
0.8986 High Similarity NPC318766
0.8571 High Similarity NPC236208
0.8378 Intermediate Similarity NPC279537
0.8169 Intermediate Similarity NPC476614
0.8125 Intermediate Similarity NPC125290
0.8108 Intermediate Similarity NPC227396
0.8056 Intermediate Similarity NPC143396
0.8052 Intermediate Similarity NPC164308
0.8052 Intermediate Similarity NPC201225
0.8 Intermediate Similarity NPC329852
0.7975 Intermediate Similarity NPC26624
0.7973 Intermediate Similarity NPC12815
0.7973 Intermediate Similarity NPC215745
0.7973 Intermediate Similarity NPC238948
0.7971 Intermediate Similarity NPC322457
0.7949 Intermediate Similarity NPC115418
0.7922 Intermediate Similarity NPC39547
0.7922 Intermediate Similarity NPC108816
0.7922 Intermediate Similarity NPC323249
0.7922 Intermediate Similarity NPC93763
0.7922 Intermediate Similarity NPC27949
0.7922 Intermediate Similarity NPC260814
0.7867 Intermediate Similarity NPC117746
0.7867 Intermediate Similarity NPC294434
0.7867 Intermediate Similarity NPC15499
0.7867 Intermediate Similarity NPC259599
0.7848 Intermediate Similarity NPC325031
0.7848 Intermediate Similarity NPC47031
0.7826 Intermediate Similarity NPC269737
0.7821 Intermediate Similarity NPC55304
0.7821 Intermediate Similarity NPC226226
0.7808 Intermediate Similarity NPC67608
0.7792 Intermediate Similarity NPC7563
0.7792 Intermediate Similarity NPC320630
0.7792 Intermediate Similarity NPC116177
0.7778 Intermediate Similarity NPC106613
0.775 Intermediate Similarity NPC7414
0.7733 Intermediate Similarity NPC186042
0.7692 Intermediate Similarity NPC267231
0.7692 Intermediate Similarity NPC172066
0.7683 Intermediate Similarity NPC28887
0.7683 Intermediate Similarity NPC261380
0.7681 Intermediate Similarity NPC327112
0.7671 Intermediate Similarity NPC117804
0.7662 Intermediate Similarity NPC51391
0.7662 Intermediate Similarity NPC4492
0.7654 Intermediate Similarity NPC40746
0.7654 Intermediate Similarity NPC169575
0.7632 Intermediate Similarity NPC476590
0.7632 Intermediate Similarity NPC474758
0.7632 Intermediate Similarity NPC114727
0.7625 Intermediate Similarity NPC316844
0.7625 Intermediate Similarity NPC88735
0.76 Intermediate Similarity NPC29328
0.76 Intermediate Similarity NPC126061
0.76 Intermediate Similarity NPC95863
0.7564 Intermediate Similarity NPC57744
0.7561 Intermediate Similarity NPC476804
0.7532 Intermediate Similarity NPC474011
0.7532 Intermediate Similarity NPC68624
0.7532 Intermediate Similarity NPC474885
0.7532 Intermediate Similarity NPC260396
0.7531 Intermediate Similarity NPC85772
0.7529 Intermediate Similarity NPC477215
0.7529 Intermediate Similarity NPC476388
0.75 Intermediate Similarity NPC474304
0.75 Intermediate Similarity NPC271104
0.75 Intermediate Similarity NPC237540
0.75 Intermediate Similarity NPC474329
0.75 Intermediate Similarity NPC275098
0.747 Intermediate Similarity NPC470755
0.7468 Intermediate Similarity NPC196653
0.7468 Intermediate Similarity NPC478122
0.7468 Intermediate Similarity NPC471465
0.7468 Intermediate Similarity NPC475994
0.7468 Intermediate Similarity NPC253749
0.7468 Intermediate Similarity NPC127526
0.7468 Intermediate Similarity NPC128276
0.7467 Intermediate Similarity NPC67183
0.7442 Intermediate Similarity NPC473448
0.7442 Intermediate Similarity NPC145666
0.7439 Intermediate Similarity NPC131669
0.7439 Intermediate Similarity NPC473390
0.7439 Intermediate Similarity NPC16488
0.7439 Intermediate Similarity NPC116543
0.7436 Intermediate Similarity NPC68819
0.7436 Intermediate Similarity NPC469646
0.7432 Intermediate Similarity NPC469679
0.7432 Intermediate Similarity NPC470256
0.7429 Intermediate Similarity NPC328311
0.7412 Intermediate Similarity NPC476805
0.7412 Intermediate Similarity NPC249889
0.7412 Intermediate Similarity NPC193843
0.7407 Intermediate Similarity NPC470241
0.7407 Intermediate Similarity NPC24417
0.7407 Intermediate Similarity NPC112868
0.7407 Intermediate Similarity NPC474980
0.7407 Intermediate Similarity NPC42470
0.7403 Intermediate Similarity NPC476355
0.7403 Intermediate Similarity NPC470686
0.7397 Intermediate Similarity NPC142423
0.7397 Intermediate Similarity NPC308294
0.7381 Intermediate Similarity NPC194417
0.7381 Intermediate Similarity NPC315395
0.7381 Intermediate Similarity NPC305475
0.7381 Intermediate Similarity NPC261721
0.7381 Intermediate Similarity NPC316426
0.7381 Intermediate Similarity NPC475461
0.7375 Intermediate Similarity NPC476624
0.7375 Intermediate Similarity NPC178277
0.7375 Intermediate Similarity NPC265980
0.7375 Intermediate Similarity NPC472013
0.7375 Intermediate Similarity NPC321728
0.7375 Intermediate Similarity NPC63326
0.7375 Intermediate Similarity NPC19900
0.7368 Intermediate Similarity NPC288667
0.7368 Intermediate Similarity NPC474884
0.7368 Intermediate Similarity NPC316185
0.7361 Intermediate Similarity NPC470320
0.7356 Intermediate Similarity NPC300312
0.7356 Intermediate Similarity NPC261607
0.7356 Intermediate Similarity NPC111114
0.7353 Intermediate Similarity NPC324224
0.7353 Intermediate Similarity NPC472808
0.7349 Intermediate Similarity NPC472958
0.7349 Intermediate Similarity NPC472957
0.7349 Intermediate Similarity NPC219966
0.7349 Intermediate Similarity NPC96259
0.7349 Intermediate Similarity NPC141193
0.7349 Intermediate Similarity NPC158756
0.7342 Intermediate Similarity NPC472014
0.7342 Intermediate Similarity NPC476007
0.7342 Intermediate Similarity NPC471061
0.7342 Intermediate Similarity NPC86917
0.7333 Intermediate Similarity NPC475982
0.7333 Intermediate Similarity NPC151481
0.7326 Intermediate Similarity NPC310236
0.7326 Intermediate Similarity NPC268298
0.7326 Intermediate Similarity NPC212598
0.7324 Intermediate Similarity NPC260573
0.7324 Intermediate Similarity NPC26810
0.7324 Intermediate Similarity NPC113293
0.7317 Intermediate Similarity NPC229825
0.7317 Intermediate Similarity NPC224455
0.7303 Intermediate Similarity NPC304886
0.7297 Intermediate Similarity NPC99619
0.7297 Intermediate Similarity NPC26500
0.7297 Intermediate Similarity NPC194871
0.7294 Intermediate Similarity NPC72513
0.7294 Intermediate Similarity NPC160138
0.7273 Intermediate Similarity NPC323437
0.7273 Intermediate Similarity NPC29542
0.7273 Intermediate Similarity NPC201562
0.7262 Intermediate Similarity NPC255307
0.7262 Intermediate Similarity NPC165162
0.7262 Intermediate Similarity NPC21469
0.726 Intermediate Similarity NPC470688
0.726 Intermediate Similarity NPC136164
0.726 Intermediate Similarity NPC255863
0.726 Intermediate Similarity NPC245947
0.7253 Intermediate Similarity NPC141191
0.725 Intermediate Similarity NPC231739
0.725 Intermediate Similarity NPC169095
0.725 Intermediate Similarity NPC476627
0.7241 Intermediate Similarity NPC144133
0.7241 Intermediate Similarity NPC129419
0.7241 Intermediate Similarity NPC475855
0.7241 Intermediate Similarity NPC179394
0.7241 Intermediate Similarity NPC473455
0.7237 Intermediate Similarity NPC286154
0.7237 Intermediate Similarity NPC107848
0.7237 Intermediate Similarity NPC4299
0.7229 Intermediate Similarity NPC250315
0.7229 Intermediate Similarity NPC44261
0.7229 Intermediate Similarity NPC79945
0.7229 Intermediate Similarity NPC161045
0.7229 Intermediate Similarity NPC59097
0.7222 Intermediate Similarity NPC184065
0.7222 Intermediate Similarity NPC250757
0.7222 Intermediate Similarity NPC185553
0.7222 Intermediate Similarity NPC301534
0.7222 Intermediate Similarity NPC68110
0.7215 Intermediate Similarity NPC256640
0.7215 Intermediate Similarity NPC123360
0.7215 Intermediate Similarity NPC205615
0.7215 Intermediate Similarity NPC16279
0.7209 Intermediate Similarity NPC476803
0.7209 Intermediate Similarity NPC475819
0.7209 Intermediate Similarity NPC104560
0.7206 Intermediate Similarity NPC317899
0.72 Intermediate Similarity NPC273508
0.72 Intermediate Similarity NPC209327
0.72 Intermediate Similarity NPC469688
0.7195 Intermediate Similarity NPC315731
0.7195 Intermediate Similarity NPC471325
0.7195 Intermediate Similarity NPC52861
0.7191 Intermediate Similarity NPC167219
0.7191 Intermediate Similarity NPC53685

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC67076 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
0.8158 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD5363 Approved
0.7949 Intermediate Similarity NPD4252 Approved
0.7922 Intermediate Similarity NPD4271 Approved
0.7922 Intermediate Similarity NPD4268 Approved
0.775 Intermediate Similarity NPD4269 Approved
0.775 Intermediate Similarity NPD4270 Approved
0.7722 Intermediate Similarity NPD4820 Approved
0.7722 Intermediate Similarity NPD4821 Approved
0.7722 Intermediate Similarity NPD4819 Approved
0.7722 Intermediate Similarity NPD4822 Approved
0.7722 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7681 Intermediate Similarity NPD4246 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD5362 Discontinued
0.7647 Intermediate Similarity NPD5785 Approved
0.7531 Intermediate Similarity NPD5209 Approved
0.7439 Intermediate Similarity NPD5332 Approved
0.7439 Intermediate Similarity NPD5331 Approved
0.7439 Intermediate Similarity NPD7154 Phase 3
0.7407 Intermediate Similarity NPD4790 Discontinued
0.7381 Intermediate Similarity NPD5786 Approved
0.7284 Intermediate Similarity NPD5368 Approved
0.7195 Intermediate Similarity NPD5369 Approved
0.7176 Intermediate Similarity NPD4249 Approved
0.7108 Intermediate Similarity NPD6435 Approved
0.7093 Intermediate Similarity NPD4250 Approved
0.7093 Intermediate Similarity NPD4251 Approved
0.7067 Intermediate Similarity NPD4247 Clinical (unspecified phase)
0.6947 Remote Similarity NPD6647 Phase 2
0.6932 Remote Similarity NPD5370 Suspended
0.6923 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6110 Phase 1
0.6778 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6707 Remote Similarity NPD4756 Discovery
0.6667 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3197 Phase 1
0.6622 Remote Similarity NPD368 Approved
0.6593 Remote Similarity NPD7637 Suspended
0.6579 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6567 Remote Similarity NPD3173 Approved
0.6552 Remote Similarity NPD5766 Clinical (unspecified phase)
0.6526 Remote Similarity NPD4225 Approved
0.6522 Remote Similarity NPD5778 Approved
0.6522 Remote Similarity NPD5779 Approved
0.6512 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6484 Remote Similarity NPD46 Approved
0.6484 Remote Similarity NPD7838 Discovery
0.6484 Remote Similarity NPD6698 Approved
0.6477 Remote Similarity NPD1696 Phase 3
0.6477 Remote Similarity NPD1694 Approved
0.6458 Remote Similarity NPD7639 Approved
0.6458 Remote Similarity NPD7640 Approved
0.6429 Remote Similarity NPD3172 Approved
0.6413 Remote Similarity NPD7515 Phase 2
0.6413 Remote Similarity NPD7983 Approved
0.6404 Remote Similarity NPD4519 Discontinued
0.6404 Remote Similarity NPD4623 Approved
0.6373 Remote Similarity NPD6371 Approved
0.6364 Remote Similarity NPD4222 Approved
0.6364 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6364 Remote Similarity NPD3665 Phase 1
0.6364 Remote Similarity NPD3133 Approved
0.6364 Remote Similarity NPD3666 Approved
0.6354 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6354 Remote Similarity NPD7638 Approved
0.6338 Remote Similarity NPD4266 Approved
0.6338 Remote Similarity NPD3194 Approved
0.6338 Remote Similarity NPD3196 Approved
0.6338 Remote Similarity NPD3195 Phase 2
0.6282 Remote Similarity NPD7331 Phase 2
0.6279 Remote Similarity NPD8259 Clinical (unspecified phase)
0.625 Remote Similarity NPD342 Phase 1
0.6237 Remote Similarity NPD6079 Approved
0.6235 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6222 Remote Similarity NPD3618 Phase 1
0.6222 Remote Similarity NPD5279 Phase 3
0.6196 Remote Similarity NPD6101 Approved
0.6196 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6184 Remote Similarity NPD4194 Approved
0.6184 Remote Similarity NPD4191 Approved
0.6184 Remote Similarity NPD4192 Approved
0.6184 Remote Similarity NPD4193 Approved
0.6162 Remote Similarity NPD5211 Phase 2
0.6146 Remote Similarity NPD5221 Approved
0.6146 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6146 Remote Similarity NPD7839 Suspended
0.6146 Remote Similarity NPD5222 Approved
0.6136 Remote Similarity NPD3667 Approved
0.6119 Remote Similarity NPD39 Approved
0.6119 Remote Similarity NPD3174 Discontinued
0.6105 Remote Similarity NPD7748 Approved
0.6105 Remote Similarity NPD5282 Discontinued
0.6104 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6092 Remote Similarity NPD7332 Phase 2
0.6092 Remote Similarity NPD4695 Discontinued
0.6087 Remote Similarity NPD4220 Pre-registration
0.6082 Remote Similarity NPD6084 Phase 2
0.6082 Remote Similarity NPD5173 Approved
0.6082 Remote Similarity NPD6083 Phase 2
0.6078 Remote Similarity NPD5697 Approved
0.6078 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6071 Remote Similarity NPD8264 Approved
0.6064 Remote Similarity NPD6411 Approved
0.6064 Remote Similarity NPD5281 Approved
0.6064 Remote Similarity NPD5284 Approved
0.6061 Remote Similarity NPD5344 Discontinued
0.6044 Remote Similarity NPD7334 Approved
0.6044 Remote Similarity NPD6409 Approved
0.6044 Remote Similarity NPD5330 Approved
0.6044 Remote Similarity NPD7146 Approved
0.6044 Remote Similarity NPD6684 Approved
0.6044 Remote Similarity NPD7521 Approved
0.6042 Remote Similarity NPD5695 Phase 3
0.6042 Remote Similarity NPD5210 Approved
0.6042 Remote Similarity NPD4629 Approved
0.604 Remote Similarity NPD5141 Approved
0.6022 Remote Similarity NPD5328 Approved
0.6022 Remote Similarity NPD4753 Phase 2
0.6019 Remote Similarity NPD6686 Approved
0.6019 Remote Similarity NPD6899 Approved
0.6019 Remote Similarity NPD6011 Approved
0.6019 Remote Similarity NPD7115 Discovery
0.6019 Remote Similarity NPD6881 Approved
0.6 Remote Similarity NPD6109 Phase 1
0.6 Remote Similarity NPD5781 Clinical (unspecified phase)
0.6 Remote Similarity NPD6399 Phase 3
0.6 Remote Similarity NPD4786 Approved
0.5979 Remote Similarity NPD4792 Clinical (unspecified phase)
0.5962 Remote Similarity NPD6013 Approved
0.5962 Remote Similarity NPD6014 Approved
0.5962 Remote Similarity NPD6012 Approved
0.596 Remote Similarity NPD5285 Approved
0.596 Remote Similarity NPD5286 Approved
0.596 Remote Similarity NPD4696 Approved
0.5955 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5949 Remote Similarity NPD7341 Phase 2
0.5942 Remote Similarity NPD5343 Approved
0.5941 Remote Similarity NPD5738 Clinical (unspecified phase)
0.5921 Remote Similarity NPD3198 Approved
0.5918 Remote Similarity NPD7902 Approved
0.5915 Remote Similarity NPD29 Approved
0.5915 Remote Similarity NPD28 Approved
0.5914 Remote Similarity NPD6903 Approved
0.5914 Remote Similarity NPD5737 Approved
0.5914 Remote Similarity NPD6672 Approved
0.5914 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5909 Remote Similarity NPD7514 Phase 3
0.5905 Remote Similarity NPD7102 Approved
0.5905 Remote Similarity NPD6883 Approved
0.5905 Remote Similarity NPD7290 Approved
0.59 Remote Similarity NPD5223 Approved
0.5882 Remote Similarity NPD4265 Approved
0.5882 Remote Similarity NPD8039 Approved
0.5875 Remote Similarity NPD3704 Approved
0.587 Remote Similarity NPD5690 Phase 2
0.5862 Remote Similarity NPD7145 Approved
0.5862 Remote Similarity NPD3732 Approved
0.5859 Remote Similarity NPD5696 Approved
0.5851 Remote Similarity NPD1695 Approved
0.5849 Remote Similarity NPD6617 Approved
0.5849 Remote Similarity NPD6847 Approved
0.5849 Remote Similarity NPD6649 Approved
0.5849 Remote Similarity NPD6869 Approved
0.5849 Remote Similarity NPD8130 Phase 1
0.5849 Remote Similarity NPD6650 Approved
0.5843 Remote Similarity NPD6902 Approved
0.5842 Remote Similarity NPD5226 Approved
0.5842 Remote Similarity NPD4633 Approved
0.5842 Remote Similarity NPD5225 Approved
0.5842 Remote Similarity NPD7632 Discontinued
0.5842 Remote Similarity NPD5224 Approved
0.5833 Remote Similarity NPD4202 Approved
0.5833 Remote Similarity NPD4732 Discontinued
0.5825 Remote Similarity NPD5739 Approved
0.5825 Remote Similarity NPD7128 Approved
0.5825 Remote Similarity NPD6402 Approved
0.5825 Remote Similarity NPD6675 Approved
0.5821 Remote Similarity NPD9411 Phase 1
0.5821 Remote Similarity NPD5326 Phase 3
0.5816 Remote Similarity NPD4697 Phase 3
0.58 Remote Similarity NPD6648 Approved
0.5795 Remote Similarity NPD4195 Approved
0.5794 Remote Similarity NPD8297 Approved
0.5794 Remote Similarity NPD6882 Approved
0.5784 Remote Similarity NPD5175 Approved
0.5784 Remote Similarity NPD5174 Approved
0.5783 Remote Similarity NPD7143 Approved
0.5783 Remote Similarity NPD7144 Approved
0.5778 Remote Similarity NPD4221 Approved
0.5778 Remote Similarity NPD4223 Phase 3
0.5773 Remote Similarity NPD5122 Clinical (unspecified phase)
0.5769 Remote Similarity NPD5701 Approved
0.5761 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5758 Remote Similarity NPD4755 Approved
0.5755 Remote Similarity NPD6420 Discontinued
0.5747 Remote Similarity NPD6925 Approved
0.5747 Remote Similarity NPD5776 Phase 2
0.5741 Remote Similarity NPD4632 Approved
0.5714 Remote Similarity NPD7320 Approved
0.5714 Remote Similarity NPD7151 Approved

Structure

External Identifiers

PubChem CID   5280880
ChEMBL   CHEMBL1084643
ZINC  

Physicochemical Properties

Molecular Weight:  334.21
ALogP:  -0.9325
MLogP:  3.22
XLogP:  3.816
# Rotatable Bonds:  15
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  24

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