Natural Product: NPC117794

Natural Product ID:  NPC117794
Common Name:   (7S,11S)-(+)-12-Hydroxysydonic Acid
IUPAC Name:   4-[(2S,6S)-2,7-dihydroxy-6-methylheptan-2-yl]-3-hydroxybenzoic acid
Synonyms:  
Molecular Formula:   C15H22O5
Standard InCHIKey:  ISHXRANDGDVGJS-BONVTDFDSA-N
Standard InCHI:  InChI=1S/C15H22O5/c1-10(9-16)4-3-7-15(2,20)12-6-5-11(14(18)19)8-13(12)17/h5-6,8,10,16-17,20H,3-4,7,9H2,1-2H3,(H,18,19)/t10-,15-/m0/s1
Canonical SMILES:  OC[C@H](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]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT19 Organism Escherichia coli Escherichia coli MIC > 32 ug/ml 1336040
NPT2 Others Unspecified Inhibition = 58.93 % 17980607
NPT2 Others Unspecified IC50 > 10 ug/ml 10.1039/C4MD00301B
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 32 ug/ml 18345641
NPT1845 Organism Vibrio alginolyticus Vibrio alginolyticus MIC > 32 ug/ml 18345641
NPT1726 Organism Vibrio harveyi Vibrio harveyi MIC > 32 ug/ml 22239601
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 0.5 ug/ml 22239601
NPT1843 Organism Aeromonas hydrophila Aeromonas hydrophila MIC > 32 ug/ml 22239601
NPT1844 Organism Edwardsiella tarda Edwardsiella tarda MIC > 32 ug/ml 22239601
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC > 32 ug/ml 19928832
NPT565 Organism Vibrio parahaemolyticus Vibrio parahaemolyticus MIC = 0.5 ug/ml 19928832
NPT1846 Organism Alternaria brassicae Alternaria brassicae MIC > 32 ug/ml 19928832
NPT2 Others Unspecified IC50 = 31950 nM DrugMatrix in vivo data: Pathology
NPT2 Others Unspecified Inhibition = 7.25 % 26741853
NPT1847 Organism Gaeumannomyces graminis Gaeumannomyces graminis MIC = 32 ug/ml PubChem BioAssay data set
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides MIC > 32 ug/ml PubChem BioAssay data set
NPT176 Organism Artemia salina Artemia salina LD50 > 10 ug/ml PubChem BioAssay data set
NPT1311 Organism Listonella anguillarum Listonella anguillarum MIC > 32 ug/ml 17067155

  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 NPC117794 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
0.9915 High Similarity NPC472592
0.9744 High Similarity NPC25168
0.9658 High Similarity NPC165197
0.9496 High Similarity NPC297193
0.9316 High Similarity NPC160199
0.9134 High Similarity NPC472591
0.88 High Similarity NPC167055
0.88 High Similarity NPC240744
0.879 High Similarity NPC275145
0.876 High Similarity NPC41567
0.8651 High Similarity NPC287473
0.864 High Similarity NPC477153
0.8583 High Similarity NPC197513
0.856 High Similarity NPC327070
0.856 High Similarity NPC325301
0.8548 High Similarity NPC115188
0.8548 High Similarity NPC222876
0.8548 High Similarity NPC244994
0.8548 High Similarity NPC178395
0.8548 High Similarity NPC179092
0.8548 High Similarity NPC272454
0.8548 High Similarity NPC35856
0.8548 High Similarity NPC26433
0.8548 High Similarity NPC159760
0.8548 High Similarity NPC301987
0.8548 High Similarity NPC292665
0.8537 High Similarity NPC184579
0.8537 High Similarity NPC233165
0.8537 High Similarity NPC160235
0.8525 High Similarity NPC125252
0.8516 High Similarity NPC209959
0.8512 High Similarity NPC161304
0.8485 Intermediate Similarity NPC474394
0.8468 Intermediate Similarity NPC328485
0.8462 Intermediate Similarity NPC66834
0.8462 Intermediate Similarity NPC31539
0.8443 Intermediate Similarity NPC312800
0.843 Intermediate Similarity NPC41851
0.843 Intermediate Similarity NPC81808
0.8425 Intermediate Similarity NPC234890
0.8425 Intermediate Similarity NPC74507
0.8421 Intermediate Similarity NPC29317
0.8421 Intermediate Similarity NPC71108
0.8421 Intermediate Similarity NPC204257
0.8421 Intermediate Similarity NPC254832
0.8421 Intermediate Similarity NPC229638
0.8421 Intermediate Similarity NPC176102
0.8421 Intermediate Similarity NPC267539
0.8397 Intermediate Similarity NPC7012
0.8387 Intermediate Similarity NPC472593
0.8376 Intermediate Similarity NPC187913
0.8347 Intermediate Similarity NPC190212
0.8346 Intermediate Similarity NPC202225
0.8333 Intermediate Similarity NPC228609
0.832 Intermediate Similarity NPC72977
0.8305 Intermediate Similarity NPC34715
0.8295 Intermediate Similarity NPC136342
0.8295 Intermediate Similarity NPC295202
0.8295 Intermediate Similarity NPC227741
0.8295 Intermediate Similarity NPC49647
0.8284 Intermediate Similarity NPC161632
0.8281 Intermediate Similarity NPC152525
0.8281 Intermediate Similarity NPC68756
0.8281 Intermediate Similarity NPC236189
0.8271 Intermediate Similarity NPC157478
0.8271 Intermediate Similarity NPC289572
0.8271 Intermediate Similarity NPC200422
0.8271 Intermediate Similarity NPC295406
0.8268 Intermediate Similarity NPC475192
0.8268 Intermediate Similarity NPC217756
0.8268 Intermediate Similarity NPC244351
0.8268 Intermediate Similarity NPC283514
0.8268 Intermediate Similarity NPC46634
0.8264 Intermediate Similarity NPC26615
0.8258 Intermediate Similarity NPC93015
0.824 Intermediate Similarity NPC90522
0.824 Intermediate Similarity NPC328459
0.824 Intermediate Similarity NPC473767
0.8231 Intermediate Similarity NPC71525
0.8226 Intermediate Similarity NPC269414
0.8217 Intermediate Similarity NPC131799
0.8211 Intermediate Similarity NPC240163
0.8209 Intermediate Similarity NPC474097
0.8209 Intermediate Similarity NPC204582
0.8205 Intermediate Similarity NPC475225
0.8197 Intermediate Similarity NPC98543
0.8197 Intermediate Similarity NPC211421
0.8195 Intermediate Similarity NPC470160
0.8195 Intermediate Similarity NPC246693
0.8195 Intermediate Similarity NPC110609
0.8195 Intermediate Similarity NPC242358
0.8189 Intermediate Similarity NPC198336
0.8188 Intermediate Similarity NPC257003
0.8182 Intermediate Similarity NPC31799
0.8182 Intermediate Similarity NPC136588
0.8182 Intermediate Similarity NPC199253
0.8175 Intermediate Similarity NPC260837
0.8175 Intermediate Similarity NPC7151
0.8175 Intermediate Similarity NPC473662
0.8175 Intermediate Similarity NPC216297
0.8168 Intermediate Similarity NPC473744
0.816 Intermediate Similarity NPC94637
0.8154 Intermediate Similarity NPC306765
0.8148 Intermediate Similarity NPC142027
0.8145 Intermediate Similarity NPC477453
0.8145 Intermediate Similarity NPC128825
0.8134 Intermediate Similarity NPC43627
0.813 Intermediate Similarity NPC114918
0.8125 Intermediate Similarity NPC132518
0.8125 Intermediate Similarity NPC307174
0.8125 Intermediate Similarity NPC477151
0.8125 Intermediate Similarity NPC282577
0.812 Intermediate Similarity NPC473777
0.812 Intermediate Similarity NPC471851
0.812 Intermediate Similarity NPC13426
0.812 Intermediate Similarity NPC471228
0.812 Intermediate Similarity NPC235762
0.8116 Intermediate Similarity NPC220496
0.8116 Intermediate Similarity NPC32749
0.8116 Intermediate Similarity NPC327916
0.8116 Intermediate Similarity NPC241349
0.8116 Intermediate Similarity NPC147542
0.8116 Intermediate Similarity NPC183345
0.8116 Intermediate Similarity NPC42262
0.8116 Intermediate Similarity NPC37992
0.8115 Intermediate Similarity NPC228452
0.811 Intermediate Similarity NPC164852
0.8106 Intermediate Similarity NPC109123
0.8083 Intermediate Similarity NPC100551
0.808 Intermediate Similarity NPC325295
0.808 Intermediate Similarity NPC76308
0.808 Intermediate Similarity NPC240664
0.8077 Intermediate Similarity NPC123506
0.806 Intermediate Similarity NPC70622
0.8045 Intermediate Similarity NPC247477
0.8045 Intermediate Similarity NPC108129
0.8045 Intermediate Similarity NPC17840
0.8045 Intermediate Similarity NPC123
0.8045 Intermediate Similarity NPC163169
0.8043 Intermediate Similarity NPC476477
0.8043 Intermediate Similarity NPC471602
0.8043 Intermediate Similarity NPC306835
0.8043 Intermediate Similarity NPC256463
0.8043 Intermediate Similarity NPC216312
0.8043 Intermediate Similarity NPC299405
0.8043 Intermediate Similarity NPC295339
0.8043 Intermediate Similarity NPC111422
0.8043 Intermediate Similarity NPC29771
0.8034 Intermediate Similarity NPC304873
0.8031 Intermediate Similarity NPC478121
0.8031 Intermediate Similarity NPC206778
0.8031 Intermediate Similarity NPC294964
0.8031 Intermediate Similarity NPC285829
0.803 Intermediate Similarity NPC95537
0.803 Intermediate Similarity NPC3009
0.803 Intermediate Similarity NPC48248
0.8028 Intermediate Similarity NPC120536
0.8016 Intermediate Similarity NPC474890
0.8016 Intermediate Similarity NPC161943
0.8016 Intermediate Similarity NPC273282
0.8015 Intermediate Similarity NPC290803
0.8015 Intermediate Similarity NPC278375
0.8015 Intermediate Similarity NPC3224
0.8015 Intermediate Similarity NPC474944
0.8015 Intermediate Similarity NPC27407
0.8014 Intermediate Similarity NPC103910
0.8014 Intermediate Similarity NPC470408
0.8014 Intermediate Similarity NPC218870
0.8014 Intermediate Similarity NPC182921
0.8014 Intermediate Similarity NPC474824
0.8 Intermediate Similarity NPC265910
0.8 Intermediate Similarity NPC310540
0.8 Intermediate Similarity NPC180261
0.8 Intermediate Similarity NPC52407
0.8 Intermediate Similarity NPC37299
0.8 Intermediate Similarity NPC91475
0.7985 Intermediate Similarity NPC85342
0.7984 Intermediate Similarity NPC121168
0.7984 Intermediate Similarity NPC186933
0.7984 Intermediate Similarity NPC163154
0.7983 Intermediate Similarity NPC163734
0.7972 Intermediate Similarity NPC81835
0.7971 Intermediate Similarity NPC197666
0.7971 Intermediate Similarity NPC4214
0.7971 Intermediate Similarity NPC173980
0.7971 Intermediate Similarity NPC61590
0.7971 Intermediate Similarity NPC126739
0.797 Intermediate Similarity NPC474546
0.797 Intermediate Similarity NPC303910
0.7969 Intermediate Similarity NPC241001
0.7956 Intermediate Similarity NPC474726
0.7956 Intermediate Similarity NPC475111
0.7956 Intermediate Similarity NPC475955
0.7956 Intermediate Similarity NPC472308
0.7956 Intermediate Similarity NPC118919
0.7951 Intermediate Similarity NPC471535
0.7949 Intermediate Similarity NPC174911
0.7949 Intermediate Similarity NPC72729
0.7941 Intermediate Similarity NPC274876
0.7941 Intermediate Similarity NPC288089

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC117794 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
0.8145 Intermediate Similarity NPD9493 Approved
0.8083 Intermediate Similarity NPD74 Approved
0.8083 Intermediate Similarity NPD9266 Approved
0.8 Intermediate Similarity NPD9267 Approved
0.8 Intermediate Similarity NPD9264 Approved
0.8 Intermediate Similarity NPD9263 Approved
0.7899 Intermediate Similarity NPD2935 Discontinued
0.7857 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7803 Intermediate Similarity NPD1164 Approved
0.7803 Intermediate Similarity NPD1470 Approved
0.777 Intermediate Similarity NPD5404 Approved
0.777 Intermediate Similarity NPD5406 Approved
0.777 Intermediate Similarity NPD5405 Approved
0.777 Intermediate Similarity NPD5408 Approved
0.7698 Intermediate Similarity NPD9281 Approved
0.7692 Intermediate Similarity NPD288 Approved
0.7667 Intermediate Similarity NPD9261 Approved
0.7647 Intermediate Similarity NPD411 Approved
0.7634 Intermediate Similarity NPD1201 Approved
0.7619 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD447 Suspended
0.7609 Intermediate Similarity NPD230 Phase 1
0.7607 Intermediate Similarity NPD844 Approved
0.7597 Intermediate Similarity NPD9545 Approved
0.7576 Intermediate Similarity NPD9717 Approved
0.7576 Intermediate Similarity NPD9269 Phase 2
0.7571 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD4308 Phase 3
0.7561 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD9268 Approved
0.7466 Intermediate Similarity NPD2532 Approved
0.7466 Intermediate Similarity NPD2534 Approved
0.7466 Intermediate Similarity NPD2533 Approved
0.7465 Intermediate Similarity NPD2346 Discontinued
0.744 Intermediate Similarity NPD4750 Phase 3
0.7431 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD943 Approved
0.7407 Intermediate Similarity NPD2797 Approved
0.7407 Intermediate Similarity NPD1203 Approved
0.7405 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD1551 Phase 2
0.7391 Intermediate Similarity NPD3764 Approved
0.7355 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD4626 Approved
0.7338 Intermediate Similarity NPD520 Approved
0.7333 Intermediate Similarity NPD1283 Approved
0.7328 Intermediate Similarity NPD1759 Phase 1
0.7324 Intermediate Similarity NPD2799 Discontinued
0.7324 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD4628 Phase 3
0.731 Intermediate Similarity NPD7003 Approved
0.7287 Intermediate Similarity NPD5951 Approved
0.7286 Intermediate Similarity NPD4307 Phase 2
0.7273 Intermediate Similarity NPD2066 Phase 3
0.7266 Intermediate Similarity NPD3268 Approved
0.7252 Intermediate Similarity NPD1758 Phase 1
0.7246 Intermediate Similarity NPD6832 Phase 2
0.7234 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD2798 Approved
0.7226 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD1019 Discontinued
0.7222 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD2182 Approved
0.7222 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD3019 Approved
0.7218 Intermediate Similarity NPD2932 Approved
0.7218 Intermediate Similarity NPD1778 Approved
0.7214 Intermediate Similarity NPD6663 Approved
0.7192 Intermediate Similarity NPD8166 Discontinued
0.7183 Intermediate Similarity NPD1607 Approved
0.7179 Intermediate Similarity NPD1086 Approved
0.7179 Intermediate Similarity NPD1089 Approved
0.7179 Intermediate Similarity NPD9258 Approved
0.7179 Intermediate Similarity NPD1090 Approved
0.7179 Intermediate Similarity NPD9256 Approved
0.7177 Intermediate Similarity NPD164 Approved
0.7177 Intermediate Similarity NPD1237 Approved
0.7174 Intermediate Similarity NPD5736 Approved
0.7164 Intermediate Similarity NPD3496 Discontinued
0.7162 Intermediate Similarity NPD7390 Discontinued
0.7152 Intermediate Similarity NPD3226 Approved
0.7152 Intermediate Similarity NPD7458 Discontinued
0.7143 Intermediate Similarity NPD5691 Approved
0.7143 Intermediate Similarity NPD2313 Discontinued
0.7143 Intermediate Similarity NPD845 Approved
0.7132 Intermediate Similarity NPD7635 Approved
0.7111 Intermediate Similarity NPD1281 Approved
0.7109 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7109 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD1929 Approved
0.7097 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD1930 Approved
0.7095 Intermediate Similarity NPD3300 Phase 2
0.7094 Intermediate Similarity NPD800 Approved
0.7089 Intermediate Similarity NPD6232 Discontinued
0.7083 Intermediate Similarity NPD1693 Approved
0.7083 Intermediate Similarity NPD1510 Phase 2
0.7075 Intermediate Similarity NPD3750 Approved
0.7067 Intermediate Similarity NPD6273 Approved
0.7063 Intermediate Similarity NPD7473 Discontinued
0.7059 Intermediate Similarity NPD1608 Approved
0.7059 Intermediate Similarity NPD1088 Approved
0.705 Intermediate Similarity NPD9494 Approved
0.7049 Intermediate Similarity NPD9495 Approved
0.7048 Intermediate Similarity NPD8150 Discontinued
0.7042 Intermediate Similarity NPD1240 Approved
0.7042 Intermediate Similarity NPD2979 Phase 3
0.7031 Intermediate Similarity NPD1317 Discontinued
0.7027 Intermediate Similarity NPD6190 Approved
0.7023 Intermediate Similarity NPD2629 Approved
0.7016 Intermediate Similarity NPD940 Approved
0.7016 Intermediate Similarity NPD1932 Approved
0.7016 Intermediate Similarity NPD846 Approved
0.7007 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.6992 Remote Similarity NPD3020 Approved
0.6987 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6986 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6986 Remote Similarity NPD6004 Phase 3
0.6986 Remote Similarity NPD6002 Phase 3
0.6986 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6986 Remote Similarity NPD6005 Phase 3
0.6975 Remote Similarity NPD5844 Phase 1
0.697 Remote Similarity NPD256 Approved
0.697 Remote Similarity NPD255 Approved
0.6968 Remote Similarity NPD7819 Suspended
0.6963 Remote Similarity NPD7163 Clinical (unspecified phase)
0.696 Remote Similarity NPD6647 Phase 2
0.6953 Remote Similarity NPD2329 Discontinued
0.695 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6948 Remote Similarity NPD2672 Discontinued
0.6944 Remote Similarity NPD6653 Approved
0.6942 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6934 Remote Similarity NPD3972 Approved
0.6923 Remote Similarity NPD5402 Approved
0.6923 Remote Similarity NPD825 Approved
0.6923 Remote Similarity NPD1087 Approved
0.6923 Remote Similarity NPD826 Approved
0.6918 Remote Similarity NPD6100 Approved
0.6918 Remote Similarity NPD6099 Approved
0.6906 Remote Similarity NPD3266 Approved
0.6906 Remote Similarity NPD3267 Approved
0.6899 Remote Similarity NPD3021 Approved
0.6899 Remote Similarity NPD3022 Approved
0.6894 Remote Similarity NPD690 Clinical (unspecified phase)
0.6884 Remote Similarity NPD1755 Approved
0.6883 Remote Similarity NPD6599 Discontinued
0.6879 Remote Similarity NPD7768 Phase 2
0.6875 Remote Similarity NPD6355 Discontinued
0.6867 Remote Similarity NPD7236 Approved
0.6867 Remote Similarity NPD8313 Approved
0.6867 Remote Similarity NPD8312 Approved
0.686 Remote Similarity NPD5122 Clinical (unspecified phase)
0.686 Remote Similarity NPD1202 Approved
0.6857 Remote Similarity NPD258 Approved
0.6857 Remote Similarity NPD257 Approved
0.6846 Remote Similarity NPD3400 Discontinued
0.6838 Remote Similarity NPD9259 Approved
0.6838 Remote Similarity NPD17 Approved
0.6838 Remote Similarity NPD9257 Approved
0.6831 Remote Similarity NPD7008 Discontinued
0.6825 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6824 Remote Similarity NPD1549 Phase 2
0.6815 Remote Similarity NPD3091 Approved
0.6815 Remote Similarity NPD2379 Clinical (unspecified phase)
0.6806 Remote Similarity NPD4060 Phase 1
0.6803 Remote Similarity NPD2438 Suspended
0.6797 Remote Similarity NPD1444 Approved
0.6797 Remote Similarity NPD1445 Approved
0.6795 Remote Similarity NPD37 Approved
0.6794 Remote Similarity NPD9508 Approved
0.6788 Remote Similarity NPD3023 Approved
0.6788 Remote Similarity NPD3026 Approved
0.6786 Remote Similarity NPD3094 Phase 2
0.6784 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6783 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6783 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6783 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6776 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6774 Remote Similarity NPD4380 Phase 2
0.677 Remote Similarity NPD5711 Approved
0.677 Remote Similarity NPD5710 Approved
0.6765 Remote Similarity NPD3024 Approved
0.6765 Remote Similarity NPD5585 Approved
0.6765 Remote Similarity NPD3025 Approved
0.6765 Remote Similarity NPD1651 Approved
0.6763 Remote Similarity NPD182 Clinical (unspecified phase)
0.6763 Remote Similarity NPD4749 Approved
0.6757 Remote Similarity NPD2344 Approved
0.6757 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6757 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6753 Remote Similarity NPD7239 Suspended
0.6752 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6748 Remote Similarity NPD2859 Approved
0.6748 Remote Similarity NPD2860 Approved
0.6748 Remote Similarity NPD1809 Phase 2

Structure

External Identifiers

PubChem CID   38351317
ChEMBL   CHEMBL2397437
ZINC  

Physicochemical Properties

Molecular Weight:  282.15
ALogP:  -1.0979
MLogP:  2.56
XLogP:  1.953
# Rotatable Bonds:  13
Polar Surface Area:  97.99
# H-Bond Aceptor:  4
# H-Bond Donor:  4
# Rings:  1
# Heavy Atoms:  20

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