Natural Product: NPC153053

Natural Product ID:  NPC153053
Common Name:   Mehp
IUPAC Name:   2-(2-ethylhexoxycarbonyl)benzoic acid
Synonyms:  
Molecular Formula:   C16H22O4
Standard InCHIKey:  DJDSLBVSSOQSLW-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)
Canonical SMILES:  CCCCC(COC(=O)c1ccccc1C(=O)O)CC
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
NPO12265 Aquilaria agallochum Species Thymelaeaceae Eukaryota TM-MC*
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota TM-MC*
NPO6826 Persicaria perfoliata Species Polygonaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine National Health and Nutrition Examination Survey (NHANES Survey) 2013

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 112.2 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 6.3 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 170 pm/min/mg 10836148
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 66166 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 66824.2 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 54482.7 nM PubChem BioAssay data set
NPT866 Individual Protein Peroxisome proliferator-activated receptor alpha Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT866 Individual Protein Peroxisome proliferator-activated receptor alpha Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24986.3 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 55937.3 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 69777.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62762.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22269.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62188.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 498.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1984.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48557.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62215.1 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 44026.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2777.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9860.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 55425.9 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 49854.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27778.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 994.7 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 44432.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10962.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15765.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 39600.6 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 49854.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38570.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4985.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 44026.4 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 396 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22074.7 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 4443.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 88.7 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 1258.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1122 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35294.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 139.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 19952.6 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 2511.9 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 NPC153053 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
0.981 High Similarity NPC321852
0.9714 High Similarity NPC260818
0.9619 High Similarity NPC196246
0.9619 High Similarity NPC214067
0.9528 High Similarity NPC305912
0.9528 High Similarity NPC1082
0.9524 High Similarity NPC10251
0.9524 High Similarity NPC17417
0.9524 High Similarity NPC85493
0.9439 High Similarity NPC82899
0.9439 High Similarity NPC270699
0.9434 High Similarity NPC93084
0.9434 High Similarity NPC251854
0.9429 High Similarity NPC56493
0.9333 High Similarity NPC119271
0.9252 High Similarity NPC174099
0.9143 High Similarity NPC31786
0.8919 High Similarity NPC307651
0.8857 High Similarity NPC282895
0.8762 High Similarity NPC146351
0.875 High Similarity NPC237366
0.8692 High Similarity NPC301943
0.8692 High Similarity NPC89886
0.8692 High Similarity NPC474365
0.8673 High Similarity NPC210092
0.8667 High Similarity NPC229242
0.8667 High Similarity NPC35448
0.8667 High Similarity NPC225060
0.8667 High Similarity NPC78701
0.8661 High Similarity NPC272524
0.8649 High Similarity NPC476003
0.8636 High Similarity NPC83628
0.8636 High Similarity NPC265407
0.8598 High Similarity NPC45613
0.8571 High Similarity NPC92754
0.8571 High Similarity NPC249912
0.8571 High Similarity NPC276775
0.8512 High Similarity NPC169913
0.8509 High Similarity NPC306740
0.85 High Similarity NPC246166
0.8482 Intermediate Similarity NPC474157
0.8468 Intermediate Similarity NPC469636
0.8455 Intermediate Similarity NPC30594
0.8455 Intermediate Similarity NPC37622
0.843 Intermediate Similarity NPC275576
0.8426 Intermediate Similarity NPC284477
0.8421 Intermediate Similarity NPC474363
0.8411 Intermediate Similarity NPC325497
0.8381 Intermediate Similarity NPC130398
0.8364 Intermediate Similarity NPC269457
0.8364 Intermediate Similarity NPC209632
0.8349 Intermediate Similarity NPC60679
0.8348 Intermediate Similarity NPC474685
0.8347 Intermediate Similarity NPC295664
0.8333 Intermediate Similarity NPC128368
0.8333 Intermediate Similarity NPC70624
0.8333 Intermediate Similarity NPC42211
0.8319 Intermediate Similarity NPC210089
0.8305 Intermediate Similarity NPC204784
0.8293 Intermediate Similarity NPC51448
0.8293 Intermediate Similarity NPC115797
0.8276 Intermediate Similarity NPC149691
0.8273 Intermediate Similarity NPC114594
0.8257 Intermediate Similarity NPC304873
0.8246 Intermediate Similarity NPC158282
0.8241 Intermediate Similarity NPC118343
0.8241 Intermediate Similarity NPC203925
0.8182 Intermediate Similarity NPC223351
0.8182 Intermediate Similarity NPC255676
0.8158 Intermediate Similarity NPC167504
0.8142 Intermediate Similarity NPC269023
0.8142 Intermediate Similarity NPC474364
0.8142 Intermediate Similarity NPC99846
0.8115 Intermediate Similarity NPC471466
0.8103 Intermediate Similarity NPC308744
0.8091 Intermediate Similarity NPC188895
0.8087 Intermediate Similarity NPC66208
0.8087 Intermediate Similarity NPC79496
0.8087 Intermediate Similarity NPC474314
0.8083 Intermediate Similarity NPC473243
0.8073 Intermediate Similarity NPC217621
0.8056 Intermediate Similarity NPC253423
0.8034 Intermediate Similarity NPC81808
0.8033 Intermediate Similarity NPC46634
0.8033 Intermediate Similarity NPC472703
0.8017 Intermediate Similarity NPC161611
0.8017 Intermediate Similarity NPC50872
0.8016 Intermediate Similarity NPC272946
0.8 Intermediate Similarity NPC62765
0.7984 Intermediate Similarity NPC477893
0.7984 Intermediate Similarity NPC470765
0.7984 Intermediate Similarity NPC477896
0.7967 Intermediate Similarity NPC472704
0.7967 Intermediate Similarity NPC228739
0.7963 Intermediate Similarity NPC61944
0.7946 Intermediate Similarity NPC329282
0.7934 Intermediate Similarity NPC72977
0.7928 Intermediate Similarity NPC25458
0.792 Intermediate Similarity NPC470753
0.792 Intermediate Similarity NPC473220
0.7917 Intermediate Similarity NPC254233
0.7907 Intermediate Similarity NPC472591
0.7907 Intermediate Similarity NPC329913
0.7905 Intermediate Similarity NPC220893
0.7905 Intermediate Similarity NPC173443
0.7895 Intermediate Similarity NPC211439
0.7895 Intermediate Similarity NPC249811
0.7891 Intermediate Similarity NPC7012
0.7891 Intermediate Similarity NPC233692
0.7881 Intermediate Similarity NPC474095
0.7881 Intermediate Similarity NPC186933
0.7876 Intermediate Similarity NPC105899
0.7851 Intermediate Similarity NPC328459
0.7851 Intermediate Similarity NPC202015
0.7851 Intermediate Similarity NPC90522
0.7846 Intermediate Similarity NPC232888
0.7846 Intermediate Similarity NPC477367
0.7845 Intermediate Similarity NPC474057
0.784 Intermediate Similarity NPC49938
0.784 Intermediate Similarity NPC476599
0.784 Intermediate Similarity NPC121272
0.7833 Intermediate Similarity NPC45794
0.7833 Intermediate Similarity NPC240664
0.7829 Intermediate Similarity NPC477364
0.7826 Intermediate Similarity NPC469511
0.7826 Intermediate Similarity NPC318327
0.7823 Intermediate Similarity NPC85511
0.7823 Intermediate Similarity NPC140118
0.7823 Intermediate Similarity NPC12881
0.7815 Intermediate Similarity NPC100353
0.7797 Intermediate Similarity NPC477411
0.7797 Intermediate Similarity NPC196075
0.7786 Intermediate Similarity NPC472372
0.7786 Intermediate Similarity NPC472374
0.7778 Intermediate Similarity NPC204579
0.7778 Intermediate Similarity NPC472706
0.7778 Intermediate Similarity NPC110211
0.7778 Intermediate Similarity NPC475236
0.7778 Intermediate Similarity NPC51292
0.7769 Intermediate Similarity NPC126516
0.7769 Intermediate Similarity NPC28836
0.7769 Intermediate Similarity NPC477368
0.7769 Intermediate Similarity NPC136608
0.7769 Intermediate Similarity NPC94637
0.7769 Intermediate Similarity NPC43627
0.7769 Intermediate Similarity NPC38420
0.7769 Intermediate Similarity NPC94298
0.7769 Intermediate Similarity NPC203486
0.7769 Intermediate Similarity NPC311492
0.7769 Intermediate Similarity NPC27633
0.7769 Intermediate Similarity NPC477359
0.7769 Intermediate Similarity NPC48929
0.7761 Intermediate Similarity NPC37992
0.7761 Intermediate Similarity NPC241349
0.7761 Intermediate Similarity NPC32749
0.7761 Intermediate Similarity NPC327916
0.7761 Intermediate Similarity NPC147542
0.7761 Intermediate Similarity NPC42262
0.7761 Intermediate Similarity NPC220496
0.7752 Intermediate Similarity NPC233860
0.7752 Intermediate Similarity NPC239358
0.775 Intermediate Similarity NPC105141
0.775 Intermediate Similarity NPC242764
0.7748 Intermediate Similarity NPC228435
0.7739 Intermediate Similarity NPC470391
0.7734 Intermediate Similarity NPC471832
0.7734 Intermediate Similarity NPC27712
0.7731 Intermediate Similarity NPC228936
0.7731 Intermediate Similarity NPC221275
0.7727 Intermediate Similarity NPC270654
0.7717 Intermediate Similarity NPC472707
0.7714 Intermediate Similarity NPC89377
0.7712 Intermediate Similarity NPC474176
0.7712 Intermediate Similarity NPC17693
0.771 Intermediate Similarity NPC472247
0.771 Intermediate Similarity NPC474097
0.7699 Intermediate Similarity NPC160382
0.7698 Intermediate Similarity NPC9180
0.7698 Intermediate Similarity NPC100402
0.7698 Intermediate Similarity NPC137416
0.7692 Intermediate Similarity NPC243355
0.7692 Intermediate Similarity NPC472248
0.7687 Intermediate Similarity NPC471602
0.7687 Intermediate Similarity NPC299405
0.7687 Intermediate Similarity NPC306835
0.7687 Intermediate Similarity NPC29771
0.7687 Intermediate Similarity NPC111422
0.7687 Intermediate Similarity NPC476477
0.7687 Intermediate Similarity NPC216312
0.7687 Intermediate Similarity NPC256463
0.7686 Intermediate Similarity NPC469574
0.768 Intermediate Similarity NPC318067
0.768 Intermediate Similarity NPC328107
0.7679 Intermediate Similarity NPC473325
0.7674 Intermediate Similarity NPC72915
0.7672 Intermediate Similarity NPC281604
0.7669 Intermediate Similarity NPC9905
0.7667 Intermediate Similarity NPC226093
0.7667 Intermediate Similarity NPC135730
0.7661 Intermediate Similarity NPC167323

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC153053 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
0.9524 High Similarity NPD2182 Approved
0.9143 High Similarity NPD164 Approved
0.8818 High Similarity NPD2181 Clinical (unspecified phase)
0.8241 Intermediate Similarity NPD1238 Approved
0.8142 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.8016 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD9256 Approved
0.8 Intermediate Similarity NPD9258 Approved
0.7881 Intermediate Similarity NPD5951 Approved
0.7857 Intermediate Similarity NPD6647 Phase 2
0.7769 Intermediate Similarity NPD9545 Approved
0.7734 Intermediate Similarity NPD7008 Discontinued
0.7731 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7638 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD5909 Discontinued
0.7627 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD9259 Approved
0.7619 Intermediate Similarity NPD9257 Approved
0.7615 Intermediate Similarity NPD1202 Approved
0.7607 Intermediate Similarity NPD2067 Discontinued
0.7603 Intermediate Similarity NPD9493 Approved
0.7589 Intermediate Similarity NPD2066 Phase 3
0.7544 Intermediate Similarity NPD1929 Approved
0.7544 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD1930 Approved
0.7538 Intermediate Similarity NPD3764 Approved
0.752 Intermediate Similarity NPD518 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1090 Approved
0.75 Intermediate Similarity NPD9495 Approved
0.75 Intermediate Similarity NPD1086 Approved
0.75 Intermediate Similarity NPD1089 Approved
0.75 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7478 Intermediate Similarity NPD1237 Approved
0.7455 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD2629 Approved
0.7417 Intermediate Similarity NPD5277 Phase 2
0.7407 Intermediate Similarity NPD800 Approved
0.7381 Intermediate Similarity NPD6287 Discontinued
0.7364 Intermediate Similarity NPD1088 Approved
0.7353 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD3673 Approved
0.7339 Intermediate Similarity NPD3672 Approved
0.7333 Intermediate Similarity NPD9491 Approved
0.7323 Intermediate Similarity NPD9717 Approved
0.7321 Intermediate Similarity NPD1989 Approved
0.7304 Intermediate Similarity NPD1932 Approved
0.725 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD1693 Approved
0.7231 Intermediate Similarity NPD5740 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD6085 Phase 2
0.7227 Intermediate Similarity NPD2329 Discontinued
0.7226 Intermediate Similarity NPD2346 Discontinued
0.7222 Intermediate Similarity NPD5305 Approved
0.7222 Intermediate Similarity NPD5306 Approved
0.7222 Intermediate Similarity NPD1087 Approved
0.7214 Intermediate Similarity NPD7236 Approved
0.7206 Intermediate Similarity NPD2799 Discontinued
0.7167 Intermediate Similarity NPD1317 Discontinued
0.7154 Intermediate Similarity NPD2797 Approved
0.7143 Intermediate Similarity NPD2313 Discontinued
0.7132 Intermediate Similarity NPD182 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD6832 Phase 2
0.7111 Intermediate Similarity NPD230 Phase 1
0.7109 Intermediate Similarity NPD4807 Approved
0.7109 Intermediate Similarity NPD4806 Approved
0.7101 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD4198 Discontinued
0.7091 Intermediate Similarity NPD5346 Phase 2
0.7091 Intermediate Similarity NPD5347 Phase 2
0.708 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD9260 Approved
0.7077 Intermediate Similarity NPD1876 Approved
0.7077 Intermediate Similarity NPD2198 Approved
0.7077 Intermediate Similarity NPD2199 Approved
0.7071 Intermediate Similarity NPD4628 Phase 3
0.7071 Intermediate Similarity NPD7003 Approved
0.7059 Intermediate Similarity NPD3528 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD3134 Approved
0.7054 Intermediate Similarity NPD4878 Approved
0.7049 Intermediate Similarity NPD9508 Approved
0.704 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD6591 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD4106 Approved
0.7031 Intermediate Similarity NPD4136 Approved
0.7031 Intermediate Similarity NPD4135 Approved
0.7029 Intermediate Similarity NPD2935 Discontinued
0.7023 Intermediate Similarity NPD1203 Approved
0.7015 Intermediate Similarity NPD3268 Approved
0.7009 Intermediate Similarity NPD3971 Phase 1
0.7 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD9267 Approved
0.7 Intermediate Similarity NPD9264 Approved
0.7 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD9263 Approved
0.6985 Remote Similarity NPD447 Suspended
0.6981 Remote Similarity NPD226 Approved
0.697 Remote Similarity NPD5647 Approved
0.697 Remote Similarity NPD2798 Approved
0.697 Remote Similarity NPD1019 Discontinued
0.6966 Remote Similarity NPD7239 Suspended
0.6964 Remote Similarity NPD1239 Approved
0.6963 Remote Similarity NPD7961 Discontinued
0.6957 Remote Similarity NPD1566 Phase 3
0.6957 Remote Similarity NPD1565 Approved
0.6957 Remote Similarity NPD1564 Approved
0.6953 Remote Similarity NPD1104 Approved
0.6952 Remote Similarity NPD9490 Approved
0.695 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6947 Remote Similarity NPD1283 Approved
0.6944 Remote Similarity NPD6273 Approved
0.6942 Remote Similarity NPD74 Approved
0.6942 Remote Similarity NPD9266 Approved
0.6935 Remote Similarity NPD2650 Approved
0.6935 Remote Similarity NPD1241 Discontinued
0.6935 Remote Similarity NPD2652 Approved
0.6929 Remote Similarity NPD970 Clinical (unspecified phase)
0.6929 Remote Similarity NPD1894 Discontinued
0.6923 Remote Similarity NPD6637 Approved
0.6918 Remote Similarity NPD3226 Approved
0.6918 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6917 Remote Similarity NPD6685 Approved
0.6912 Remote Similarity NPD2979 Phase 3
0.6912 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6911 Remote Similarity NPD969 Suspended
0.6909 Remote Similarity NPD4793 Discontinued
0.6903 Remote Similarity NPD7631 Approved
0.6899 Remote Similarity NPD3496 Discontinued
0.6897 Remote Similarity NPD5926 Approved
0.6884 Remote Similarity NPD2567 Approved
0.6884 Remote Similarity NPD2569 Approved
0.6875 Remote Similarity NPD4105 Approved
0.6875 Remote Similarity NPD2534 Approved
0.6875 Remote Similarity NPD4102 Approved
0.6875 Remote Similarity NPD2532 Approved
0.6875 Remote Similarity NPD2533 Approved
0.686 Remote Similarity NPD1358 Approved
0.6853 Remote Similarity NPD7440 Discontinued
0.685 Remote Similarity NPD2347 Approved
0.6835 Remote Similarity NPD4308 Phase 3
0.6833 Remote Similarity NPD5048 Discontinued
0.6831 Remote Similarity NPD3750 Approved
0.6831 Remote Similarity NPD8166 Discontinued
0.6822 Remote Similarity NPD1362 Clinical (unspecified phase)
0.6822 Remote Similarity NPD4626 Approved
0.6814 Remote Similarity NPD7609 Phase 3
0.6794 Remote Similarity NPD1481 Phase 2
0.6794 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6794 Remote Similarity NPD3972 Approved
0.6794 Remote Similarity NPD1608 Approved
0.6791 Remote Similarity NPD3663 Approved
0.6791 Remote Similarity NPD3661 Approved
0.6791 Remote Similarity NPD3662 Phase 3
0.6791 Remote Similarity NPD3664 Approved
0.6788 Remote Similarity NPD3373 Approved
0.6786 Remote Similarity NPD689 Discontinued
0.6772 Remote Similarity NPD694 Clinical (unspecified phase)
0.6769 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6767 Remote Similarity NPD553 Approved
0.6767 Remote Similarity NPD1470 Approved
0.6767 Remote Similarity NPD6362 Approved
0.6767 Remote Similarity NPD552 Approved
0.6767 Remote Similarity NPD9567 Approved
0.6765 Remote Similarity NPD411 Approved
0.6757 Remote Similarity NPD650 Approved
0.6748 Remote Similarity NPD5240 Approved
0.6748 Remote Similarity NPD5236 Approved
0.6748 Remote Similarity NPD5237 Approved
0.6748 Remote Similarity NPD5239 Approved
0.6748 Remote Similarity NPD5235 Approved
0.6746 Remote Similarity NPD9281 Approved
0.6744 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6744 Remote Similarity NPD5585 Approved
0.6744 Remote Similarity NPD5691 Approved
0.6742 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6742 Remote Similarity NPD5157 Phase 1
0.6742 Remote Similarity NPD5159 Phase 2
0.6739 Remote Similarity NPD6355 Discontinued
0.6739 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6738 Remote Similarity NPD6004 Phase 3
0.6738 Remote Similarity NPD6005 Phase 3
0.6738 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6738 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6738 Remote Similarity NPD6002 Phase 3
0.6718 Remote Similarity NPD1535 Discovery
0.6718 Remote Similarity NPD1281 Approved
0.6715 Remote Similarity NPD6663 Approved
0.6715 Remote Similarity NPD6233 Phase 2
0.6714 Remote Similarity NPD7305 Phase 1
0.6711 Remote Similarity NPD2672 Discontinued
0.6698 Remote Similarity NPD225 Approved
0.6698 Remote Similarity NPD227 Approved
0.6696 Remote Similarity NPD1563 Approved
0.6694 Remote Similarity NPD2201 Approved
0.6692 Remote Similarity NPD5667 Approved
0.6691 Remote Similarity NPD6039 Approved
0.6691 Remote Similarity NPD6653 Approved
0.6689 Remote Similarity NPD7458 Discontinued
0.6667 Remote Similarity NPD9261 Approved

Structure

External Identifiers

PubChem CID   20393
ChEMBL   CHEMBL1867438
ZINC  

Physicochemical Properties

Molecular Weight:  278.15
ALogP:  -1.1312
MLogP:  2.78
XLogP:  5.367
# Rotatable Bonds:  12
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  20

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Biological Activities  
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