Natural Product: NPC25168

Natural Product ID:  NPC25168
Common Name:   3-Hydroxy-4-[(2S)-2-Hydroxy-6-Methylheptan-2-Yl]Benzoic Acid
IUPAC Name:   3-hydroxy-4-[(2S)-2-hydroxy-6-methylheptan-2-yl]benzoic acid
Synonyms:  
Molecular Formula:   C15H22O4
Standard InCHIKey:  VZXPWVDKXCYHSI-HNNXBMFYSA-N
Standard InCHI:  InChI=1S/C15H22O4/c1-10(2)5-4-8-15(3,19)12-7-6-11(14(17)18)9-13(12)16/h6-7,9-10,16,19H,4-5,8H2,1-3H3,(H,17,18)/t15-/m0/s1
Canonical SMILES:  CC(CCC[C@@](c1ccc(cc1O)C(=O)O)(O)C)C
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
NPO31451 Aspergillus sydowii Species Aspergillaceae Eukaryota PMID[23647825]
NPO32607 penicillium aculeatum sd-321 Species Aspergillaceae Eukaryota PMID[25763602]
NPO31451 Aspergillus sydowii Species Aspergillaceae Eukaryota PMID[21718031]
NPO31572 Aspergillus sp. Species Aspergillaceae Eukaryota PMID[21718031]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Inhibition = 2.56 % 23647825
NPT2 Others Unspecified IC50 > 10 ug/ml 23647825
NPT2 Others Unspecified Inhibition = 60.18 % 23647825
NPT2 Others Unspecified IC50 = 27820 nM 23647825
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 381.4 mg/dl 23647825
NPT19 Organism Escherichia coli Escherichia coli MIC > 32 ug/ml 25763602
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 32 ug/ml 25763602
NPT1843 Organism Aeromonas hydrophila Aeromonas hydrophila MIC > 32 ug/ml 25763602
NPT1844 Organism Edwardsiella tarda Edwardsiella tarda MIC = 32 ug/ml 25763602
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC > 32 ug/ml 25763602
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 32 ug/ml 25763602
NPT1845 Organism Vibrio alginolyticus Vibrio alginolyticus MIC > 32 ug/ml 25763602
NPT1311 Organism Listonella anguillarum Listonella anguillarum MIC = 32 ug/ml 25763602
NPT1726 Organism Vibrio harveyi Vibrio harveyi MIC = 4 ug/ml 25763602
NPT565 Organism Vibrio parahaemolyticus Vibrio parahaemolyticus MIC = 4 ug/ml 25763602
NPT1846 Organism Alternaria brassicae Alternaria brassicae MIC > 32 ug/ml 25763602
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides MIC = 32 ug/ml 25763602
NPT1847 Organism Gaeumannomyces graminis Gaeumannomyces graminis MIC = 0.5 ug/ml 25763602
NPT176 Organism Artemia salina Artemia salina LD50 > 10 ug/ml 25763602

  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 NPC25168 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
0.9912 High Similarity NPC165197
0.9744 High Similarity NPC117794
0.9741 High Similarity NPC297193
0.9661 High Similarity NPC472592
0.9561 High Similarity NPC160199
0.9048 High Similarity NPC472591
0.9008 High Similarity NPC275145
0.8852 High Similarity NPC477153
0.876 High Similarity NPC159760
0.876 High Similarity NPC179092
0.876 High Similarity NPC35856
0.876 High Similarity NPC178395
0.876 High Similarity NPC301987
0.876 High Similarity NPC222876
0.876 High Similarity NPC244994
0.876 High Similarity NPC272454
0.876 High Similarity NPC115188
0.876 High Similarity NPC26433
0.876 High Similarity NPC292665
0.875 High Similarity NPC233165
0.875 High Similarity NPC184579
0.8739 High Similarity NPC125252
0.8729 High Similarity NPC161304
0.872 High Similarity NPC209959
0.8661 High Similarity NPC31539
0.8655 High Similarity NPC312800
0.8596 High Similarity NPC187913
0.8595 High Similarity NPC472593
0.856 High Similarity NPC240744
0.856 High Similarity NPC287473
0.856 High Similarity NPC167055
0.8547 High Similarity NPC228609
0.8522 High Similarity NPC34715
0.8512 High Similarity NPC41567
0.8487 Intermediate Similarity NPC81808
0.848 Intermediate Similarity NPC236189
0.8473 Intermediate Similarity NPC161632
0.8468 Intermediate Similarity NPC325301
0.8468 Intermediate Similarity NPC283514
0.8468 Intermediate Similarity NPC46634
0.8468 Intermediate Similarity NPC244351
0.8468 Intermediate Similarity NPC327070
0.8443 Intermediate Similarity NPC160235
0.843 Intermediate Similarity NPC269414
0.8417 Intermediate Similarity NPC240163
0.8403 Intermediate Similarity NPC98543
0.8403 Intermediate Similarity NPC211421
0.8387 Intermediate Similarity NPC198336
0.8374 Intermediate Similarity NPC328485
0.8374 Intermediate Similarity NPC260837
0.8347 Intermediate Similarity NPC477453
0.8346 Intermediate Similarity NPC306765
0.8333 Intermediate Similarity NPC13426
0.8333 Intermediate Similarity NPC229638
0.8333 Intermediate Similarity NPC267539
0.8333 Intermediate Similarity NPC41851
0.8333 Intermediate Similarity NPC176102
0.8333 Intermediate Similarity NPC204257
0.8333 Intermediate Similarity NPC114918
0.8333 Intermediate Similarity NPC71108
0.8333 Intermediate Similarity NPC254832
0.8333 Intermediate Similarity NPC29317
0.8333 Intermediate Similarity NPC197513
0.832 Intermediate Similarity NPC282577
0.832 Intermediate Similarity NPC307174
0.8308 Intermediate Similarity NPC7012
0.8306 Intermediate Similarity NPC164852
0.8295 Intermediate Similarity NPC109123
0.8291 Intermediate Similarity NPC100551
0.8281 Intermediate Similarity NPC71525
0.8268 Intermediate Similarity NPC123506
0.8258 Intermediate Similarity NPC474394
0.825 Intermediate Similarity NPC190212
0.8246 Intermediate Similarity NPC304873
0.8231 Intermediate Similarity NPC17840
0.8231 Intermediate Similarity NPC247477
0.8231 Intermediate Similarity NPC108129
0.8226 Intermediate Similarity NPC206778
0.8226 Intermediate Similarity NPC72977
0.8226 Intermediate Similarity NPC285829
0.8217 Intermediate Similarity NPC48248
0.8217 Intermediate Similarity NPC95537
0.8211 Intermediate Similarity NPC474890
0.8211 Intermediate Similarity NPC161943
0.8211 Intermediate Similarity NPC273282
0.8205 Intermediate Similarity NPC66834
0.8203 Intermediate Similarity NPC227741
0.8203 Intermediate Similarity NPC295202
0.8203 Intermediate Similarity NPC49647
0.8203 Intermediate Similarity NPC3224
0.8203 Intermediate Similarity NPC136342
0.8197 Intermediate Similarity NPC128825
0.8195 Intermediate Similarity NPC290803
0.8189 Intermediate Similarity NPC265910
0.8189 Intermediate Similarity NPC91475
0.8189 Intermediate Similarity NPC74507
0.8189 Intermediate Similarity NPC234890
0.8189 Intermediate Similarity NPC310540
0.8182 Intermediate Similarity NPC295406
0.8182 Intermediate Similarity NPC200422
0.8182 Intermediate Similarity NPC289572
0.8182 Intermediate Similarity NPC37299
0.8182 Intermediate Similarity NPC180261
0.8182 Intermediate Similarity NPC157478
0.8182 Intermediate Similarity NPC186933
0.8175 Intermediate Similarity NPC217756
0.8167 Intermediate Similarity NPC26615
0.816 Intermediate Similarity NPC241001
0.8158 Intermediate Similarity NPC72729
0.8154 Intermediate Similarity NPC303910
0.8148 Intermediate Similarity NPC4214
0.8145 Intermediate Similarity NPC90522
0.8145 Intermediate Similarity NPC328459
0.8136 Intermediate Similarity NPC224584
0.8134 Intermediate Similarity NPC475955
0.8134 Intermediate Similarity NPC474726
0.8134 Intermediate Similarity NPC472308
0.8134 Intermediate Similarity NPC118919
0.813 Intermediate Similarity NPC240664
0.8125 Intermediate Similarity NPC201728
0.8125 Intermediate Similarity NPC262671
0.8125 Intermediate Similarity NPC131799
0.812 Intermediate Similarity NPC202225
0.812 Intermediate Similarity NPC288089
0.811 Intermediate Similarity NPC273683
0.811 Intermediate Similarity NPC375356
0.8103 Intermediate Similarity NPC93831
0.8102 Intermediate Similarity NPC257003
0.8099 Intermediate Similarity NPC242136
0.8087 Intermediate Similarity NPC25458
0.808 Intermediate Similarity NPC478121
0.8077 Intermediate Similarity NPC282923
0.8077 Intermediate Similarity NPC96024
0.8074 Intermediate Similarity NPC471452
0.807 Intermediate Similarity NPC217621
0.8067 Intermediate Similarity NPC95172
0.8065 Intermediate Similarity NPC328694
0.8065 Intermediate Similarity NPC94637
0.8062 Intermediate Similarity NPC160499
0.8062 Intermediate Similarity NPC231774
0.8062 Intermediate Similarity NPC96915
0.8062 Intermediate Similarity NPC473751
0.8051 Intermediate Similarity NPC141523
0.8049 Intermediate Similarity NPC83718
0.8049 Intermediate Similarity NPC108288
0.8047 Intermediate Similarity NPC68756
0.8047 Intermediate Similarity NPC152525
0.8047 Intermediate Similarity NPC199273
0.8047 Intermediate Similarity NPC142956
0.8045 Intermediate Similarity NPC263817
0.8045 Intermediate Similarity NPC43627
0.8045 Intermediate Similarity NPC48036
0.8045 Intermediate Similarity NPC115458
0.8031 Intermediate Similarity NPC300274
0.8031 Intermediate Similarity NPC475192
0.8031 Intermediate Similarity NPC121168
0.8031 Intermediate Similarity NPC68167
0.8031 Intermediate Similarity NPC132518
0.8031 Intermediate Similarity NPC477151
0.803 Intermediate Similarity NPC205992
0.803 Intermediate Similarity NPC93015
0.8029 Intermediate Similarity NPC147542
0.8029 Intermediate Similarity NPC32749
0.8029 Intermediate Similarity NPC327916
0.8029 Intermediate Similarity NPC183345
0.8029 Intermediate Similarity NPC42262
0.8029 Intermediate Similarity NPC37992
0.8029 Intermediate Similarity NPC225243
0.8029 Intermediate Similarity NPC241349
0.8029 Intermediate Similarity NPC220496
0.8017 Intermediate Similarity NPC231717
0.8016 Intermediate Similarity NPC190971
0.8015 Intermediate Similarity NPC117899
0.8015 Intermediate Similarity NPC34414
0.8015 Intermediate Similarity NPC146647
0.8 Intermediate Similarity NPC471530
0.8 Intermediate Similarity NPC232178
0.8 Intermediate Similarity NPC272268
0.8 Intermediate Similarity NPC181715
0.8 Intermediate Similarity NPC72667
0.8 Intermediate Similarity NPC473767
0.8 Intermediate Similarity NPC176130
0.8 Intermediate Similarity NPC84672
0.8 Intermediate Similarity NPC78364
0.8 Intermediate Similarity NPC69424
0.7985 Intermediate Similarity NPC204582
0.7985 Intermediate Similarity NPC474097
0.7984 Intermediate Similarity NPC76308
0.7984 Intermediate Similarity NPC325295
0.7984 Intermediate Similarity NPC103540
0.7984 Intermediate Similarity NPC121259
0.7982 Intermediate Similarity NPC6597
0.7982 Intermediate Similarity NPC79241
0.797 Intermediate Similarity NPC470160
0.797 Intermediate Similarity NPC110609
0.797 Intermediate Similarity NPC246693
0.797 Intermediate Similarity NPC242358
0.797 Intermediate Similarity NPC58685
0.7969 Intermediate Similarity NPC477152
0.7969 Intermediate Similarity NPC135062

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC25168 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
0.8291 Intermediate Similarity NPD74 Approved
0.8291 Intermediate Similarity NPD9266 Approved
0.8205 Intermediate Similarity NPD9267 Approved
0.8205 Intermediate Similarity NPD9263 Approved
0.8205 Intermediate Similarity NPD9264 Approved
0.8197 Intermediate Similarity NPD9493 Approved
0.8049 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7984 Intermediate Similarity NPD1164 Approved
0.7984 Intermediate Similarity NPD1470 Approved
0.7941 Intermediate Similarity NPD5405 Approved
0.7941 Intermediate Similarity NPD2935 Discontinued
0.7941 Intermediate Similarity NPD5406 Approved
0.7941 Intermediate Similarity NPD5404 Approved
0.7941 Intermediate Similarity NPD5408 Approved
0.7895 Intermediate Similarity NPD288 Approved
0.7886 Intermediate Similarity NPD9281 Approved
0.7863 Intermediate Similarity NPD9261 Approved
0.782 Intermediate Similarity NPD411 Approved
0.7812 Intermediate Similarity NPD1201 Approved
0.7807 Intermediate Similarity NPD844 Approved
0.7778 Intermediate Similarity NPD447 Suspended
0.7752 Intermediate Similarity NPD9717 Approved
0.7752 Intermediate Similarity NPD9269 Phase 2
0.775 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7737 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7737 Intermediate Similarity NPD4308 Phase 3
0.7717 Intermediate Similarity NPD9268 Approved
0.7714 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7626 Intermediate Similarity NPD2346 Discontinued
0.7623 Intermediate Similarity NPD4750 Phase 3
0.7578 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD2797 Approved
0.7576 Intermediate Similarity NPD1203 Approved
0.7574 Intermediate Similarity NPD943 Approved
0.7556 Intermediate Similarity NPD3764 Approved
0.7542 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD230 Phase 1
0.75 Intermediate Similarity NPD1759 Phase 1
0.75 Intermediate Similarity NPD9545 Approved
0.7482 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7482 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7482 Intermediate Similarity NPD2799 Discontinued
0.746 Intermediate Similarity NPD5951 Approved
0.7458 Intermediate Similarity NPD2066 Phase 3
0.7447 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD4307 Phase 2
0.7426 Intermediate Similarity NPD3268 Approved
0.7422 Intermediate Similarity NPD1758 Phase 1
0.7415 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7398 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7388 Intermediate Similarity NPD2798 Approved
0.7385 Intermediate Similarity NPD4626 Approved
0.7385 Intermediate Similarity NPD3019 Approved
0.7385 Intermediate Similarity NPD2932 Approved
0.7379 Intermediate Similarity NPD2534 Approved
0.7379 Intermediate Similarity NPD2532 Approved
0.7379 Intermediate Similarity NPD2533 Approved
0.7368 Intermediate Similarity NPD9258 Approved
0.7368 Intermediate Similarity NPD1089 Approved
0.7368 Intermediate Similarity NPD1086 Approved
0.7368 Intermediate Similarity NPD9256 Approved
0.7368 Intermediate Similarity NPD1090 Approved
0.7368 Intermediate Similarity NPD1283 Approved
0.7343 Intermediate Similarity NPD7003 Approved
0.7328 Intermediate Similarity NPD845 Approved
0.731 Intermediate Similarity NPD7390 Discontinued
0.7305 Intermediate Similarity NPD1551 Phase 2
0.7302 Intermediate Similarity NPD7635 Approved
0.7299 Intermediate Similarity NPD2313 Discontinued
0.7297 Intermediate Similarity NPD3226 Approved
0.7281 Intermediate Similarity NPD800 Approved
0.7273 Intermediate Similarity NPD1929 Approved
0.7273 Intermediate Similarity NPD1930 Approved
0.7273 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD1693 Approved
0.7246 Intermediate Similarity NPD520 Approved
0.7241 Intermediate Similarity NPD3300 Phase 2
0.7241 Intermediate Similarity NPD1088 Approved
0.7222 Intermediate Similarity NPD3750 Approved
0.7222 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD1608 Approved
0.7214 Intermediate Similarity NPD1607 Approved
0.7213 Intermediate Similarity NPD164 Approved
0.72 Intermediate Similarity NPD1317 Discontinued
0.719 Intermediate Similarity NPD846 Approved
0.719 Intermediate Similarity NPD940 Approved
0.719 Intermediate Similarity NPD1932 Approved
0.7167 Intermediate Similarity NPD3020 Approved
0.7153 Intermediate Similarity NPD6832 Phase 2
0.7143 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1281 Approved
0.7133 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD255 Approved
0.7132 Intermediate Similarity NPD256 Approved
0.7132 Intermediate Similarity NPD1019 Discontinued
0.7122 Intermediate Similarity NPD6663 Approved
0.7121 Intermediate Similarity NPD1778 Approved
0.7121 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD2182 Approved
0.712 Intermediate Similarity NPD2329 Discontinued
0.7119 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD6232 Discontinued
0.7105 Intermediate Similarity NPD1087 Approved
0.7103 Intermediate Similarity NPD4628 Phase 3
0.7103 Intermediate Similarity NPD8166 Discontinued
0.7089 Intermediate Similarity NPD7473 Discontinued
0.708 Intermediate Similarity NPD5736 Approved
0.7071 Intermediate Similarity NPD1240 Approved
0.7068 Intermediate Similarity NPD3496 Discontinued
0.7067 Intermediate Similarity NPD7458 Discontinued
0.7063 Intermediate Similarity NPD3022 Approved
0.7063 Intermediate Similarity NPD6099 Approved
0.7063 Intermediate Similarity NPD3021 Approved
0.7063 Intermediate Similarity NPD6100 Approved
0.7059 Intermediate Similarity NPD3267 Approved
0.7059 Intermediate Similarity NPD3266 Approved
0.7054 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD5691 Approved
0.7037 Intermediate Similarity NPD1755 Approved
0.7034 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD1202 Approved
0.7027 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD9259 Approved
0.7018 Intermediate Similarity NPD9257 Approved
0.7008 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD257 Approved
0.7007 Intermediate Similarity NPD258 Approved
0.7007 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.6993 Remote Similarity NPD1510 Phase 2
0.6992 Remote Similarity NPD17 Approved
0.6963 Remote Similarity NPD3972 Approved
0.696 Remote Similarity NPD1444 Approved
0.696 Remote Similarity NPD1445 Approved
0.6957 Remote Similarity NPD9494 Approved
0.6953 Remote Similarity NPD9508 Approved
0.695 Remote Similarity NPD2979 Phase 3
0.694 Remote Similarity NPD3026 Approved
0.694 Remote Similarity NPD3023 Approved
0.6935 Remote Similarity NPD1237 Approved
0.6918 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6917 Remote Similarity NPD1809 Phase 2
0.6917 Remote Similarity NPD2859 Approved
0.6917 Remote Similarity NPD3025 Approved
0.6917 Remote Similarity NPD2860 Approved
0.6917 Remote Similarity NPD3024 Approved
0.6912 Remote Similarity NPD4749 Approved
0.6912 Remote Similarity NPD182 Clinical (unspecified phase)
0.6905 Remote Similarity NPD2342 Discontinued
0.6903 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6897 Remote Similarity NPD2344 Approved
0.6883 Remote Similarity NPD7819 Suspended
0.6875 Remote Similarity NPD3748 Approved
0.6875 Remote Similarity NPD4141 Clinical (unspecified phase)
0.687 Remote Similarity NPD6671 Approved
0.6867 Remote Similarity NPD8150 Discontinued
0.6867 Remote Similarity NPD6273 Approved
0.6864 Remote Similarity NPD1239 Approved
0.6863 Remote Similarity NPD2672 Discontinued
0.686 Remote Similarity NPD1566 Phase 3
0.686 Remote Similarity NPD1565 Approved
0.686 Remote Similarity NPD1564 Approved
0.6857 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6839 Remote Similarity NPD2379 Clinical (unspecified phase)
0.6838 Remote Similarity NPD1481 Phase 2
0.6833 Remote Similarity NPD2933 Approved
0.6833 Remote Similarity NPD2934 Approved
0.6831 Remote Similarity NPD825 Approved
0.6831 Remote Similarity NPD826 Approved
0.6824 Remote Similarity NPD6190 Approved
0.6822 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6818 Remote Similarity NPD9568 Approved
0.6803 Remote Similarity NPD9495 Approved
0.68 Remote Similarity NPD5909 Discontinued
0.68 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6797 Remote Similarity NPD1792 Phase 2
0.6797 Remote Similarity NPD6599 Discontinued
0.6795 Remote Similarity NPD7768 Phase 2
0.6794 Remote Similarity NPD2629 Approved
0.6791 Remote Similarity NPD1651 Approved
0.679 Remote Similarity NPD5844 Phase 1
0.6783 Remote Similarity NPD6355 Discontinued
0.6781 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6781 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6781 Remote Similarity NPD6002 Phase 3
0.6781 Remote Similarity NPD6005 Phase 3
0.6781 Remote Similarity NPD6004 Phase 3
0.6779 Remote Similarity NPD6884 Clinical (unspecified phase)
0.6776 Remote Similarity NPD2370 Clinical (unspecified phase)
0.6774 Remote Similarity NPD1465 Phase 2
0.6769 Remote Similarity NPD5277 Phase 2
0.6765 Remote Similarity NPD422 Phase 1
0.6765 Remote Similarity NPD1611 Approved
0.6765 Remote Similarity NPD1535 Discovery
0.6757 Remote Similarity NPD1196 Approved
0.6754 Remote Similarity NPD9491 Approved
0.6752 Remote Similarity NPD3749 Approved
0.6741 Remote Similarity NPD1362 Clinical (unspecified phase)
0.6739 Remote Similarity NPD1876 Approved
0.6739 Remote Similarity NPD3225 Approved

Structure

External Identifiers

PubChem CID   25775004
ChEMBL   CHEMBL2361427
ZINC  

Physicochemical Properties

Molecular Weight:  266.15
ALogP:  -0.2097
MLogP:  2.67
XLogP:  3.929
# Rotatable Bonds:  12
Polar Surface Area:  77.76
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  19

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