Natural Product: NPC297193

Natural Product ID:  NPC297193
Common Name:   Hydroxysydonic Acid
IUPAC Name:   4-[(2S)-2,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxybenzoic acid
Synonyms:  
Molecular Formula:   C15H22O5
Standard InCHIKey:  YCUWMGPYKGLQQF-HNNXBMFYSA-N
Standard InCHI:  InChI=1S/C15H22O5/c1-14(2,19)7-4-8-15(3,20)11-6-5-10(13(17)18)9-12(11)16/h5-6,9,16,19-20H,4,7-8H2,1-3H3,(H,17,18)/t15-/m0/s1
Canonical SMILES:  Oc1cc(ccc1[C@](CCCC(O)(C)C)(O)C)C(=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
NPO32607 penicillium aculeatum sd-321 Species Aspergillaceae Eukaryota PMID[25763602]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT176 Organism Artemia salina Artemia salina LD50 > 10 ug/ml 19220033
NPT1846 Organism Alternaria brassicae Alternaria brassicae MIC > 32 ug/ml 19555121
NPT1847 Organism Gaeumannomyces graminis Gaeumannomyces graminis MIC > 32 ug/ml 9651160
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides MIC > 32 ug/ml 9651160
NPT1845 Organism Vibrio alginolyticus Vibrio alginolyticus MIC > 32 ug/ml 9651160
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 32 ug/ml 9651160
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC > 32 ug/ml 9651160
NPT1844 Organism Edwardsiella tarda Edwardsiella tarda MIC > 32 ug/ml 9651160
NPT565 Organism Vibrio parahaemolyticus Vibrio parahaemolyticus MIC = 32 ug/ml 9651160
NPT1726 Organism Vibrio harveyi Vibrio harveyi MIC > 32 ug/ml 9651160
NPT1311 Organism Listonella anguillarum Listonella anguillarum MIC = 32 ug/ml 9651160
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 32 ug/ml Open TG-GATES in vivo data: Hematology
NPT1843 Organism Aeromonas hydrophila Aeromonas hydrophila MIC = 32 ug/ml Open TG-GATES in vivo data: Hematology
NPT19 Organism Escherichia coli Escherichia coli MIC = 32 ug/ml Open TG-GATES in vivo data: Hematology

  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 NPC297193 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
0.9826 High Similarity NPC165197
0.9741 High Similarity NPC25168
0.9496 High Similarity NPC117794
0.9417 High Similarity NPC472592
0.931 High Similarity NPC160199
0.8952 High Similarity NPC209959
0.8828 High Similarity NPC472591
0.878 High Similarity NPC275145
0.8692 High Similarity NPC161632
0.8689 High Similarity NPC272454
0.8689 High Similarity NPC179092
0.8689 High Similarity NPC159760
0.8689 High Similarity NPC115188
0.8689 High Similarity NPC222876
0.8689 High Similarity NPC301987
0.8689 High Similarity NPC292665
0.8689 High Similarity NPC244994
0.8689 High Similarity NPC26433
0.8689 High Similarity NPC178395
0.8689 High Similarity NPC35856
0.8678 High Similarity NPC233165
0.8678 High Similarity NPC184579
0.8667 High Similarity NPC125252
0.8655 High Similarity NPC161304
0.8644 High Similarity NPC98543
0.8629 High Similarity NPC477153
0.8594 High Similarity NPC31539
0.8583 High Similarity NPC312800
0.8525 High Similarity NPC472593
0.8522 High Similarity NPC187913
0.8492 Intermediate Similarity NPC240744
0.8492 Intermediate Similarity NPC287473
0.8492 Intermediate Similarity NPC167055
0.8475 Intermediate Similarity NPC228609
0.845 Intermediate Similarity NPC17840
0.845 Intermediate Similarity NPC247477
0.8448 Intermediate Similarity NPC34715
0.8443 Intermediate Similarity NPC474890
0.8443 Intermediate Similarity NPC161943
0.8443 Intermediate Similarity NPC41567
0.8443 Intermediate Similarity NPC273282
0.8417 Intermediate Similarity NPC81808
0.8413 Intermediate Similarity NPC236189
0.84 Intermediate Similarity NPC325301
0.84 Intermediate Similarity NPC327070
0.84 Intermediate Similarity NPC244351
0.84 Intermediate Similarity NPC283514
0.84 Intermediate Similarity NPC46634
0.8397 Intermediate Similarity NPC180261
0.8397 Intermediate Similarity NPC37299
0.8372 Intermediate Similarity NPC109123
0.8361 Intermediate Similarity NPC269414
0.8347 Intermediate Similarity NPC240163
0.8346 Intermediate Similarity NPC118919
0.8346 Intermediate Similarity NPC201728
0.8346 Intermediate Similarity NPC262671
0.8333 Intermediate Similarity NPC288089
0.8333 Intermediate Similarity NPC211421
0.8333 Intermediate Similarity NPC474394
0.832 Intermediate Similarity NPC198336
0.8309 Intermediate Similarity NPC257003
0.8306 Intermediate Similarity NPC260837
0.8295 Intermediate Similarity NPC282923
0.8281 Intermediate Similarity NPC306765
0.8281 Intermediate Similarity NPC473751
0.8281 Intermediate Similarity NPC3224
0.8281 Intermediate Similarity NPC231774
0.8279 Intermediate Similarity NPC477453
0.8279 Intermediate Similarity NPC83718
0.8271 Intermediate Similarity NPC290803
0.8264 Intermediate Similarity NPC114918
0.8264 Intermediate Similarity NPC197513
0.8264 Intermediate Similarity NPC41851
0.8261 Intermediate Similarity NPC13426
0.8258 Intermediate Similarity NPC48036
0.8254 Intermediate Similarity NPC307174
0.8254 Intermediate Similarity NPC475192
0.8244 Intermediate Similarity NPC7012
0.8244 Intermediate Similarity NPC205992
0.8235 Intermediate Similarity NPC183345
0.8226 Intermediate Similarity NPC160235
0.822 Intermediate Similarity NPC100551
0.8217 Intermediate Similarity NPC71525
0.8211 Intermediate Similarity NPC121259
0.8209 Intermediate Similarity NPC475955
0.8209 Intermediate Similarity NPC474726
0.8205 Intermediate Similarity NPC317592
0.8203 Intermediate Similarity NPC103540
0.8195 Intermediate Similarity NPC204582
0.8182 Intermediate Similarity NPC110609
0.8182 Intermediate Similarity NPC223004
0.8182 Intermediate Similarity NPC242358
0.8182 Intermediate Similarity NPC246693
0.8162 Intermediate Similarity NPC306835
0.8162 Intermediate Similarity NPC476477
0.8162 Intermediate Similarity NPC471602
0.8162 Intermediate Similarity NPC256463
0.8162 Intermediate Similarity NPC216312
0.8162 Intermediate Similarity NPC295339
0.8162 Intermediate Similarity NPC29771
0.8162 Intermediate Similarity NPC111422
0.8162 Intermediate Similarity NPC299405
0.816 Intermediate Similarity NPC206778
0.816 Intermediate Similarity NPC285829
0.816 Intermediate Similarity NPC328485
0.816 Intermediate Similarity NPC294964
0.8154 Intermediate Similarity NPC95537
0.8154 Intermediate Similarity NPC473744
0.8154 Intermediate Similarity NPC41263
0.8154 Intermediate Similarity NPC48248
0.8148 Intermediate Similarity NPC471452
0.8148 Intermediate Similarity NPC62272
0.814 Intermediate Similarity NPC136342
0.814 Intermediate Similarity NPC49647
0.814 Intermediate Similarity NPC8745
0.814 Intermediate Similarity NPC295202
0.814 Intermediate Similarity NPC227741
0.8134 Intermediate Similarity NPC29317
0.8134 Intermediate Similarity NPC254832
0.8134 Intermediate Similarity NPC142027
0.8134 Intermediate Similarity NPC176102
0.8134 Intermediate Similarity NPC267539
0.8134 Intermediate Similarity NPC27407
0.8134 Intermediate Similarity NPC229638
0.8134 Intermediate Similarity NPC204257
0.8134 Intermediate Similarity NPC71108
0.8134 Intermediate Similarity NPC278375
0.813 Intermediate Similarity NPC128825
0.8125 Intermediate Similarity NPC91475
0.8125 Intermediate Similarity NPC310540
0.8125 Intermediate Similarity NPC265910
0.8125 Intermediate Similarity NPC173978
0.8125 Intermediate Similarity NPC145134
0.812 Intermediate Similarity NPC295406
0.812 Intermediate Similarity NPC200422
0.812 Intermediate Similarity NPC239855
0.812 Intermediate Similarity NPC115458
0.812 Intermediate Similarity NPC289572
0.812 Intermediate Similarity NPC157478
0.8115 Intermediate Similarity NPC276111
0.8115 Intermediate Similarity NPC118288
0.811 Intermediate Similarity NPC282577
0.811 Intermediate Similarity NPC67300
0.811 Intermediate Similarity NPC217756
0.8106 Intermediate Similarity NPC473777
0.8102 Intermediate Similarity NPC241349
0.8102 Intermediate Similarity NPC220496
0.8102 Intermediate Similarity NPC147542
0.8102 Intermediate Similarity NPC32749
0.8102 Intermediate Similarity NPC42262
0.8102 Intermediate Similarity NPC225243
0.8102 Intermediate Similarity NPC37992
0.8102 Intermediate Similarity NPC315578
0.8102 Intermediate Similarity NPC327916
0.8095 Intermediate Similarity NPC248363
0.8095 Intermediate Similarity NPC164852
0.8092 Intermediate Similarity NPC117899
0.8092 Intermediate Similarity NPC99731
0.8092 Intermediate Similarity NPC278928
0.8088 Intermediate Similarity NPC4214
0.8088 Intermediate Similarity NPC61590
0.808 Intermediate Similarity NPC328459
0.808 Intermediate Similarity NPC90522
0.808 Intermediate Similarity NPC156654
0.8074 Intermediate Similarity NPC272268
0.8074 Intermediate Similarity NPC158481
0.8067 Intermediate Similarity NPC224584
0.8065 Intermediate Similarity NPC240664
0.8062 Intermediate Similarity NPC123506
0.8062 Intermediate Similarity NPC131799
0.8062 Intermediate Similarity NPC10926
0.8062 Intermediate Similarity NPC477454
0.806 Intermediate Similarity NPC282780
0.806 Intermediate Similarity NPC166480
0.8058 Intermediate Similarity NPC471682
0.8047 Intermediate Similarity NPC375356
0.8047 Intermediate Similarity NPC174991
0.8045 Intermediate Similarity NPC58685
0.8045 Intermediate Similarity NPC70622
0.8043 Intermediate Similarity NPC290550
0.8043 Intermediate Similarity NPC471444
0.8034 Intermediate Similarity NPC93831
0.8033 Intermediate Similarity NPC190212
0.8033 Intermediate Similarity NPC242136
0.803 Intermediate Similarity NPC123
0.803 Intermediate Similarity NPC163169
0.803 Intermediate Similarity NPC108129
0.8029 Intermediate Similarity NPC138099
0.8029 Intermediate Similarity NPC242994
0.8029 Intermediate Similarity NPC26924
0.8017 Intermediate Similarity NPC25458
0.8017 Intermediate Similarity NPC304873
0.8016 Intermediate Similarity NPC72977
0.8016 Intermediate Similarity NPC159525
0.8015 Intermediate Similarity NPC71256
0.8015 Intermediate Similarity NPC245923
0.8015 Intermediate Similarity NPC53206
0.8015 Intermediate Similarity NPC53414
0.8015 Intermediate Similarity NPC193203
0.8015 Intermediate Similarity NPC229894

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC297193 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
0.822 Intermediate Similarity NPD74 Approved
0.822 Intermediate Similarity NPD9266 Approved
0.8203 Intermediate Similarity NPD1470 Approved
0.8148 Intermediate Similarity NPD5404 Approved
0.8148 Intermediate Similarity NPD5406 Approved
0.8148 Intermediate Similarity NPD5408 Approved
0.8148 Intermediate Similarity NPD5405 Approved
0.8136 Intermediate Similarity NPD9267 Approved
0.8136 Intermediate Similarity NPD9264 Approved
0.8136 Intermediate Similarity NPD9263 Approved
0.813 Intermediate Similarity NPD9493 Approved
0.8031 Intermediate Similarity NPD1201 Approved
0.7984 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7983 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7969 Intermediate Similarity NPD9269 Phase 2
0.7941 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7937 Intermediate Similarity NPD9268 Approved
0.7923 Intermediate Similarity NPD1164 Approved
0.7883 Intermediate Similarity NPD2935 Discontinued
0.7823 Intermediate Similarity NPD9281 Approved
0.7797 Intermediate Similarity NPD9261 Approved
0.7786 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD943 Approved
0.7761 Intermediate Similarity NPD3764 Approved
0.7761 Intermediate Similarity NPD411 Approved
0.7739 Intermediate Similarity NPD844 Approved
0.7721 Intermediate Similarity NPD230 Phase 1
0.7721 Intermediate Similarity NPD447 Suspended
0.7717 Intermediate Similarity NPD9545 Approved
0.7705 Intermediate Similarity NPD4750 Phase 3
0.7692 Intermediate Similarity NPD9717 Approved
0.7681 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7681 Intermediate Similarity NPD4308 Phase 3
0.7672 Intermediate Similarity NPD288 Approved
0.7571 Intermediate Similarity NPD2346 Discontinued
0.7569 Intermediate Similarity NPD2534 Approved
0.7569 Intermediate Similarity NPD2532 Approved
0.7569 Intermediate Similarity NPD2533 Approved
0.7519 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7519 Intermediate Similarity NPD1203 Approved
0.7518 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1551 Phase 2
0.75 Intermediate Similarity NPD7390 Discontinued
0.7483 Intermediate Similarity NPD3226 Approved
0.7479 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD1759 Phase 1
0.7417 Intermediate Similarity NPD940 Approved
0.7417 Intermediate Similarity NPD846 Approved
0.7413 Intermediate Similarity NPD3750 Approved
0.7413 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD1607 Approved
0.7402 Intermediate Similarity NPD5951 Approved
0.7391 Intermediate Similarity NPD4307 Phase 2
0.7388 Intermediate Similarity NPD2797 Approved
0.7364 Intermediate Similarity NPD1758 Phase 1
0.7339 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD4626 Approved
0.7305 Intermediate Similarity NPD2799 Discontinued
0.7305 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD9256 Approved
0.7304 Intermediate Similarity NPD9258 Approved
0.7293 Intermediate Similarity NPD1608 Approved
0.7292 Intermediate Similarity NPD4628 Phase 3
0.729 Intermediate Similarity NPD6232 Discontinued
0.7266 Intermediate Similarity NPD1240 Approved
0.725 Intermediate Similarity NPD2066 Phase 3
0.7248 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD2313 Discontinued
0.7246 Intermediate Similarity NPD3268 Approved
0.7211 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7206 Intermediate Similarity NPD2798 Approved
0.7197 Intermediate Similarity NPD3019 Approved
0.7197 Intermediate Similarity NPD2932 Approved
0.7197 Intermediate Similarity NPD1778 Approved
0.7194 Intermediate Similarity NPD520 Approved
0.7192 Intermediate Similarity NPD3300 Phase 2
0.7185 Intermediate Similarity NPD1283 Approved
0.7183 Intermediate Similarity NPD1510 Phase 2
0.7172 Intermediate Similarity NPD7003 Approved
0.7155 Intermediate Similarity NPD1090 Approved
0.7155 Intermediate Similarity NPD1086 Approved
0.7155 Intermediate Similarity NPD1089 Approved
0.7154 Intermediate Similarity NPD164 Approved
0.7152 Intermediate Similarity NPD7473 Discontinued
0.7133 Intermediate Similarity NPD6099 Approved
0.7133 Intermediate Similarity NPD6100 Approved
0.7131 Intermediate Similarity NPD1932 Approved
0.7119 Intermediate Similarity NPD845 Approved
0.7109 Intermediate Similarity NPD7635 Approved
0.7103 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD6832 Phase 2
0.7095 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD1019 Discontinued
0.708 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD256 Approved
0.7077 Intermediate Similarity NPD255 Approved
0.7073 Intermediate Similarity NPD1929 Approved
0.7073 Intermediate Similarity NPD1930 Approved
0.7073 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD800 Approved
0.7068 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD17 Approved
0.7063 Intermediate Similarity NPD2182 Approved
0.7063 Intermediate Similarity NPD3748 Approved
0.7059 Intermediate Similarity NPD1693 Approved
0.7059 Intermediate Similarity NPD7819 Suspended
0.7059 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD1088 Approved
0.7015 Intermediate Similarity NPD3496 Discontinued
0.7008 Intermediate Similarity NPD1317 Discontinued
0.7007 Intermediate Similarity NPD6190 Approved
0.7 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.6992 Remote Similarity NPD5691 Approved
0.6985 Remote Similarity NPD4749 Approved
0.6985 Remote Similarity NPD1755 Approved
0.698 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6975 Remote Similarity NPD1202 Approved
0.6974 Remote Similarity NPD6599 Discontinued
0.6968 Remote Similarity NPD7768 Phase 2
0.6967 Remote Similarity NPD3020 Approved
0.6966 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6963 Remote Similarity NPD1281 Approved
0.6963 Remote Similarity NPD422 Phase 1
0.6957 Remote Similarity NPD5844 Phase 1
0.6957 Remote Similarity NPD9257 Approved
0.6957 Remote Similarity NPD257 Approved
0.6957 Remote Similarity NPD258 Approved
0.6957 Remote Similarity NPD9259 Approved
0.6953 Remote Similarity NPD2181 Clinical (unspecified phase)
0.695 Remote Similarity NPD6663 Approved
0.6948 Remote Similarity NPD1465 Phase 2
0.6939 Remote Similarity NPD8166 Discontinued
0.6929 Remote Similarity NPD2329 Discontinued
0.6928 Remote Similarity NPD8150 Discontinued
0.6923 Remote Similarity NPD3749 Approved
0.6918 Remote Similarity NPD1549 Phase 2
0.6913 Remote Similarity NPD1511 Approved
0.6912 Remote Similarity NPD3972 Approved
0.6911 Remote Similarity NPD1242 Phase 1
0.6908 Remote Similarity NPD7458 Discontinued
0.6906 Remote Similarity NPD5736 Approved
0.6906 Remote Similarity NPD9494 Approved
0.6903 Remote Similarity NPD5402 Approved
0.6899 Remote Similarity NPD9508 Approved
0.6897 Remote Similarity NPD1087 Approved
0.6884 Remote Similarity NPD3266 Approved
0.6884 Remote Similarity NPD3267 Approved
0.688 Remote Similarity NPD1237 Approved
0.6879 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6879 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3021 Approved
0.6875 Remote Similarity NPD3022 Approved
0.6867 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6861 Remote Similarity NPD182 Clinical (unspecified phase)
0.686 Remote Similarity NPD2859 Approved
0.686 Remote Similarity NPD2860 Approved
0.686 Remote Similarity NPD1809 Phase 2
0.6855 Remote Similarity NPD5710 Approved
0.6855 Remote Similarity NPD5711 Approved
0.685 Remote Similarity NPD2342 Discontinued
0.6849 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6849 Remote Similarity NPD2344 Approved
0.6849 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6849 Remote Similarity NPD6002 Phase 3
0.6849 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6849 Remote Similarity NPD6005 Phase 3
0.6849 Remote Similarity NPD6004 Phase 3
0.6849 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6839 Remote Similarity NPD2801 Approved
0.6839 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6833 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6824 Remote Similarity NPD3400 Discontinued
0.6821 Remote Similarity NPD1512 Approved
0.6818 Remote Similarity NPD7411 Suspended
0.6818 Remote Similarity NPD6671 Approved
0.6815 Remote Similarity NPD7075 Discontinued
0.6812 Remote Similarity NPD3225 Approved
0.6809 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6809 Remote Similarity NPD4625 Phase 3
0.6807 Remote Similarity NPD1239 Approved
0.68 Remote Similarity NPD6799 Approved
0.6795 Remote Similarity NPD2379 Clinical (unspecified phase)
0.6788 Remote Similarity NPD1481 Phase 2
0.6783 Remote Similarity NPD825 Approved
0.6783 Remote Similarity NPD2979 Phase 3
0.6783 Remote Similarity NPD826 Approved
0.6777 Remote Similarity NPD2933 Approved
0.6777 Remote Similarity NPD2934 Approved
0.6774 Remote Similarity NPD1934 Approved
0.6772 Remote Similarity NPD1444 Approved
0.6772 Remote Similarity NPD1445 Approved
0.6769 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6767 Remote Similarity NPD9568 Approved
0.6765 Remote Similarity NPD3023 Approved
0.6765 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6765 Remote Similarity NPD3026 Approved
0.6757 Remote Similarity NPD2800 Approved
0.6753 Remote Similarity NPD4380 Phase 2

Structure

External Identifiers

PubChem CID   25775008
ChEMBL   CHEMBL3577365
ZINC  

Physicochemical Properties

Molecular Weight:  282.15
ALogP:  -0.6488
MLogP:  2.56
XLogP:  2.175
# Rotatable Bonds:  13
Polar Surface Area:  97.99
# H-Bond Aceptor:  4
# H-Bond Donor:  4
# Rings:  1
# Heavy Atoms:  20

Download Data

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Structure MOL file  
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Biological Activities  
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