Natural Product: NPC258366

Natural Product ID:  NPC258366
Common Name:   Calicoferol A
IUPAC Name:   (1R,3aS,4S,7aR)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-1-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
Synonyms:  
Molecular Formula:   C27H40O2
Standard InCHIKey:  MDPPOIXSNMVHOD-FBPKMIEBSA-N
Standard InCHI:  InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
Canonical SMILES:  CC(C/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC(=O)[C@H]2CCc1cc(O)ccc1C)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
NPO32924 gorgonian astrogorgia sp. Species NA NA China PMID[21982797]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1436 Individual Protein Focal adhesion kinase 1 Homo sapiens IC50 = 9920 nM 19319825
NPT1659 Individual Protein Tyrosine-protein kinase receptor UFO Homo sapiens IC50 = 14700 nM 19319825
NPT1656 Individual Protein Protein kinase N1 Homo sapiens IC50 > 100000 nM 10075777
NPT1438 Individual Protein Insulin-like growth factor I receptor Homo sapiens IC50 = 2420 nM 23347584
NPT728 Individual Protein Serine/threonine-protein kinase AKT Homo sapiens IC50 > 100000 nM 15270571
NPT140 Organism Artemia Artemia LD50 = 1.8 ppm 21377877
NPT491 Individual Protein Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens IC50 > 100000 nM 20421396
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens IC50 > 100000 nM 15921411
NPT1661 Individual Protein ALK tyrosine kinase receptor Homo sapiens IC50 = 4160 nM PubChem BioAssay data set
NPT1337 Individual Protein Hepatocyte growth factor receptor Homo sapiens IC50 = 47600 nM 21142112
NPT1265 Individual Protein Serine/threonine-protein kinase PIM1 Homo sapiens IC50 > 100000 nM 15974616
NPT1660 Individual Protein NUAK family SNF1-like kinase 1 Homo sapiens IC50 > 100000 nM 15165136
NPT1657 Individual Protein Serine/threonine-protein kinase NEK6 Homo sapiens IC50 > 100000 nM 19778089
NPT1658 Individual Protein Serine/threonine-protein kinase NEK2 Homo sapiens IC50 > 100000 nM 18591275
NPT1478 Individual Protein Vascular endothelial growth factor receptor 2 Homo sapiens IC50 = 4600 nM 22931300
NPT36 Individual Protein Tyrosine-protein kinase SRC Homo sapiens IC50 = 2240 nM 10840050
NPT1433 Individual Protein Serine/threonine-protein kinase Aurora-B Homo sapiens IC50 > 100000 nM 15270556

  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 NPC258366 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 NPC79933
1.0 High Similarity NPC31296
1.0 High Similarity NPC473974
0.9561 High Similarity NPC190501
0.9561 High Similarity NPC318552
0.9328 High Similarity NPC269598
0.9 High Similarity NPC15127
0.8983 High Similarity NPC32322
0.8983 High Similarity NPC259703
0.8974 High Similarity NPC42657
0.8934 High Similarity NPC30491
0.8934 High Similarity NPC262936
0.8879 High Similarity NPC247858
0.8879 High Similarity NPC474387
0.8879 High Similarity NPC137496
0.8879 High Similarity NPC474358
0.8879 High Similarity NPC257540
0.8879 High Similarity NPC154511
0.8824 High Similarity NPC241001
0.8824 High Similarity NPC21216
0.8772 High Similarity NPC322753
0.875 High Similarity NPC154696
0.8678 High Similarity NPC121168
0.8678 High Similarity NPC176208
0.8667 High Similarity NPC474175
0.8607 High Similarity NPC198014
0.8607 High Similarity NPC471187
0.8595 High Similarity NPC249340
0.8595 High Similarity NPC253627
0.8595 High Similarity NPC162935
0.8583 High Similarity NPC68339
0.8537 High Similarity NPC181334
0.8525 High Similarity NPC11250
0.8512 High Similarity NPC164852
0.8487 Intermediate Similarity NPC471926
0.8482 Intermediate Similarity NPC261573
0.8482 Intermediate Similarity NPC8931
0.8482 Intermediate Similarity NPC120693
0.8468 Intermediate Similarity NPC87985
0.843 Intermediate Similarity NPC99734
0.843 Intermediate Similarity NPC478121
0.8421 Intermediate Similarity NPC228737
0.8417 Intermediate Similarity NPC164649
0.8417 Intermediate Similarity NPC328694
0.8417 Intermediate Similarity NPC48342
0.8403 Intermediate Similarity NPC471928
0.8403 Intermediate Similarity NPC471925
0.8403 Intermediate Similarity NPC471924
0.84 Intermediate Similarity NPC71610
0.8376 Intermediate Similarity NPC286222
0.8362 Intermediate Similarity NPC13482
0.8361 Intermediate Similarity NPC190971
0.8348 Intermediate Similarity NPC11554
0.8346 Intermediate Similarity NPC276238
0.8333 Intermediate Similarity NPC69424
0.8333 Intermediate Similarity NPC188677
0.8333 Intermediate Similarity NPC72667
0.8333 Intermediate Similarity NPC176130
0.8333 Intermediate Similarity NPC78364
0.8333 Intermediate Similarity NPC84672
0.832 Intermediate Similarity NPC137750
0.8319 Intermediate Similarity NPC469719
0.8319 Intermediate Similarity NPC327811
0.8319 Intermediate Similarity NPC254965
0.8254 Intermediate Similarity NPC254492
0.8244 Intermediate Similarity NPC252343
0.8244 Intermediate Similarity NPC477596
0.824 Intermediate Similarity NPC199273
0.8226 Intermediate Similarity NPC297057
0.822 Intermediate Similarity NPC228425
0.822 Intermediate Similarity NPC250323
0.8214 Intermediate Similarity NPC211885
0.8211 Intermediate Similarity NPC328504
0.8205 Intermediate Similarity NPC141782
0.8205 Intermediate Similarity NPC222905
0.8203 Intermediate Similarity NPC171460
0.8198 Intermediate Similarity NPC260000
0.8175 Intermediate Similarity NPC137416
0.8174 Intermediate Similarity NPC69332
0.8174 Intermediate Similarity NPC95178
0.8174 Intermediate Similarity NPC29989
0.8174 Intermediate Similarity NPC70843
0.8168 Intermediate Similarity NPC477594
0.8167 Intermediate Similarity NPC322197
0.8145 Intermediate Similarity NPC142198
0.8145 Intermediate Similarity NPC77569
0.8142 Intermediate Similarity NPC472585
0.814 Intermediate Similarity NPC108129
0.8136 Intermediate Similarity NPC260323
0.8136 Intermediate Similarity NPC176279
0.8125 Intermediate Similarity NPC280869
0.8125 Intermediate Similarity NPC92730
0.8125 Intermediate Similarity NPC96024
0.8125 Intermediate Similarity NPC3009
0.812 Intermediate Similarity NPC88141
0.8108 Intermediate Similarity NPC202986
0.8103 Intermediate Similarity NPC151477
0.8103 Intermediate Similarity NPC320439
0.8099 Intermediate Similarity NPC471668
0.8099 Intermediate Similarity NPC477453
0.8095 Intermediate Similarity NPC471927
0.8095 Intermediate Similarity NPC474766
0.8088 Intermediate Similarity NPC477209
0.8083 Intermediate Similarity NPC268160
0.8083 Intermediate Similarity NPC195922
0.808 Intermediate Similarity NPC282577
0.8077 Intermediate Similarity NPC476847
0.8077 Intermediate Similarity NPC471851
0.8067 Intermediate Similarity NPC62867
0.8067 Intermediate Similarity NPC177962
0.8067 Intermediate Similarity NPC231717
0.8062 Intermediate Similarity NPC303910
0.8062 Intermediate Similarity NPC25736
0.806 Intermediate Similarity NPC248287
0.806 Intermediate Similarity NPC234548
0.8051 Intermediate Similarity NPC252544
0.8051 Intermediate Similarity NPC321252
0.8047 Intermediate Similarity NPC19432
0.8036 Intermediate Similarity NPC225464
0.8034 Intermediate Similarity NPC317305
0.8034 Intermediate Similarity NPC64586
0.8033 Intermediate Similarity NPC76308
0.8033 Intermediate Similarity NPC477136
0.8033 Intermediate Similarity NPC325295
0.8029 Intermediate Similarity NPC477207
0.8017 Intermediate Similarity NPC192948
0.8017 Intermediate Similarity NPC35797
0.8017 Intermediate Similarity NPC147179
0.8016 Intermediate Similarity NPC273683
0.8015 Intermediate Similarity NPC165612
0.8 Intermediate Similarity NPC120545
0.7985 Intermediate Similarity NPC98804
0.7985 Intermediate Similarity NPC477592
0.7984 Intermediate Similarity NPC229894
0.7983 Intermediate Similarity NPC95716
0.7983 Intermediate Similarity NPC470770
0.7983 Intermediate Similarity NPC177576
0.7983 Intermediate Similarity NPC77772
0.7983 Intermediate Similarity NPC266937
0.797 Intermediate Similarity NPC43353
0.7969 Intermediate Similarity NPC471930
0.7969 Intermediate Similarity NPC471929
0.7969 Intermediate Similarity NPC15837
0.7969 Intermediate Similarity NPC471935
0.7966 Intermediate Similarity NPC58865
0.7955 Intermediate Similarity NPC477139
0.7955 Intermediate Similarity NPC78307
0.7955 Intermediate Similarity NPC18982
0.7955 Intermediate Similarity NPC475627
0.7955 Intermediate Similarity NPC475457
0.7955 Intermediate Similarity NPC475346
0.7953 Intermediate Similarity NPC75432
0.7951 Intermediate Similarity NPC277394
0.7951 Intermediate Similarity NPC141001
0.7951 Intermediate Similarity NPC28951
0.7951 Intermediate Similarity NPC38893
0.7951 Intermediate Similarity NPC308311
0.7951 Intermediate Similarity NPC299252
0.7951 Intermediate Similarity NPC61062
0.7951 Intermediate Similarity NPC325646
0.7951 Intermediate Similarity NPC477137
0.7951 Intermediate Similarity NPC219112
0.7951 Intermediate Similarity NPC308828
0.7946 Intermediate Similarity NPC292730
0.7946 Intermediate Similarity NPC216520
0.7946 Intermediate Similarity NPC82664
0.7946 Intermediate Similarity NPC132271
0.7946 Intermediate Similarity NPC473388
0.7939 Intermediate Similarity NPC243305
0.7937 Intermediate Similarity NPC164947
0.7937 Intermediate Similarity NPC91478
0.7937 Intermediate Similarity NPC321402
0.7931 Intermediate Similarity NPC117115
0.7928 Intermediate Similarity NPC316301
0.7928 Intermediate Similarity NPC27323
0.7926 Intermediate Similarity NPC477593
0.7923 Intermediate Similarity NPC30174
0.7923 Intermediate Similarity NPC206028
0.7923 Intermediate Similarity NPC117899
0.7923 Intermediate Similarity NPC288290
0.7923 Intermediate Similarity NPC131684
0.792 Intermediate Similarity NPC98305
0.7917 Intermediate Similarity NPC46940
0.791 Intermediate Similarity NPC7464
0.791 Intermediate Similarity NPC193358
0.7907 Intermediate Similarity NPC471530
0.7903 Intermediate Similarity NPC93071
0.7903 Intermediate Similarity NPC182240
0.7903 Intermediate Similarity NPC126002
0.7895 Intermediate Similarity NPC202225
0.7895 Intermediate Similarity NPC225506
0.7891 Intermediate Similarity NPC123506
0.7886 Intermediate Similarity NPC16030
0.7886 Intermediate Similarity NPC304510
0.7886 Intermediate Similarity NPC172219
0.7881 Intermediate Similarity NPC31274
0.7876 Intermediate Similarity NPC32674
0.7874 Intermediate Similarity NPC275145
0.7869 Intermediate Similarity NPC23402
0.7863 Intermediate Similarity NPC155072

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC258366 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
0.9561 High Similarity NPD2932 Approved
0.9561 High Similarity NPD3019 Approved
0.8824 High Similarity NPD3023 Approved
0.8824 High Similarity NPD3026 Approved
0.8814 High Similarity NPD3025 Approved
0.8814 High Similarity NPD3024 Approved
0.8651 High Similarity NPD6663 Approved
0.8629 High Similarity NPD5736 Approved
0.843 Intermediate Similarity NPD4059 Approved
0.8417 Intermediate Similarity NPD3091 Approved
0.8145 Intermediate Similarity NPD3092 Approved
0.8125 Intermediate Similarity NPD3020 Approved
0.8077 Intermediate Similarity NPD8032 Phase 2
0.7984 Intermediate Similarity NPD3095 Discontinued
0.7956 Intermediate Similarity NPD7910 Clinical (unspecified phase)
0.7928 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7891 Intermediate Similarity NPD3094 Phase 2
0.7857 Intermediate Similarity NPD2860 Approved
0.7857 Intermediate Similarity NPD2859 Approved
0.7815 Intermediate Similarity NPD3021 Approved
0.7815 Intermediate Similarity NPD3022 Approved
0.7769 Intermediate Similarity NPD7635 Approved
0.7768 Intermediate Similarity NPD2934 Approved
0.7768 Intermediate Similarity NPD2933 Approved
0.776 Intermediate Similarity NPD1651 Approved
0.7717 Intermediate Similarity NPD1201 Approved
0.7692 Intermediate Similarity NPD4624 Approved
0.7674 Intermediate Similarity NPD1876 Approved
0.7674 Intermediate Similarity NPD1283 Approved
0.7626 Intermediate Similarity NPD8166 Discontinued
0.7619 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD1755 Approved
0.7586 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7559 Intermediate Similarity NPD1751 Approved
0.7544 Intermediate Similarity NPD1809 Phase 2
0.752 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD1470 Approved
0.7481 Intermediate Similarity NPD4140 Approved
0.748 Intermediate Similarity NPD4093 Discontinued
0.7478 Intermediate Similarity NPD288 Approved
0.7462 Intermediate Similarity NPD5327 Phase 3
0.7442 Intermediate Similarity NPD1281 Approved
0.7391 Intermediate Similarity NPD7742 Approved
0.7391 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD844 Approved
0.7391 Intermediate Similarity NPD7743 Approved
0.7377 Intermediate Similarity NPD1792 Phase 2
0.7372 Intermediate Similarity NPD6353 Approved
0.7368 Intermediate Similarity NPD845 Approved
0.7361 Intermediate Similarity NPD6273 Approved
0.7355 Intermediate Similarity NPD2342 Discontinued
0.7353 Intermediate Similarity NPD3620 Phase 2
0.7353 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD6100 Approved
0.7338 Intermediate Similarity NPD6099 Approved
0.7328 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7323 Intermediate Similarity NPD7610 Discontinued
0.7299 Intermediate Similarity NPD5735 Approved
0.7293 Intermediate Similarity NPD2194 Approved
0.7293 Intermediate Similarity NPD2195 Approved
0.728 Intermediate Similarity NPD2229 Approved
0.728 Intermediate Similarity NPD2234 Approved
0.728 Intermediate Similarity NPD2228 Approved
0.7279 Intermediate Similarity NPD7028 Phase 2
0.7239 Intermediate Similarity NPD3635 Approved
0.7239 Intermediate Similarity NPD3637 Approved
0.7239 Intermediate Similarity NPD3636 Approved
0.7236 Intermediate Similarity NPD4750 Phase 3
0.7222 Intermediate Similarity NPD5951 Approved
0.7222 Intermediate Similarity NPD2629 Approved
0.7206 Intermediate Similarity NPD3764 Approved
0.7185 Intermediate Similarity NPD2606 Approved
0.7185 Intermediate Similarity NPD2605 Approved
0.7176 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD6355 Discontinued
0.7165 Intermediate Similarity NPD256 Approved
0.7165 Intermediate Similarity NPD255 Approved
0.7154 Intermediate Similarity NPD2286 Discontinued
0.7154 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD4626 Approved
0.7143 Intermediate Similarity NPD1242 Phase 1
0.7143 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD7003 Approved
0.7133 Intermediate Similarity NPD4110 Phase 3
0.7132 Intermediate Similarity NPD5156 Approved
0.7132 Intermediate Similarity NPD7095 Approved
0.7132 Intermediate Similarity NPD5155 Approved
0.7131 Intermediate Similarity NPD1444 Approved
0.7131 Intermediate Similarity NPD1445 Approved
0.7121 Intermediate Similarity NPD1608 Approved
0.7121 Intermediate Similarity NPD3972 Approved
0.712 Intermediate Similarity NPD6124 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD111 Approved
0.7101 Intermediate Similarity NPD2979 Phase 3
0.7101 Intermediate Similarity NPD4060 Phase 1
0.7092 Intermediate Similarity NPD5405 Approved
0.7092 Intermediate Similarity NPD5404 Approved
0.7092 Intermediate Similarity NPD5408 Approved
0.7092 Intermediate Similarity NPD5406 Approved
0.709 Intermediate Similarity NPD4339 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD1164 Approved
0.7083 Intermediate Similarity NPD940 Approved
0.7083 Intermediate Similarity NPD846 Approved
0.7063 Intermediate Similarity NPD3638 Discontinued
0.7059 Intermediate Similarity NPD3594 Approved
0.7059 Intermediate Similarity NPD3595 Approved
0.7023 Intermediate Similarity NPD4589 Approved
0.7009 Intermediate Similarity NPD1693 Approved
0.7008 Intermediate Similarity NPD7159 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4097 Suspended
0.6986 Remote Similarity NPD7390 Discontinued
0.6985 Remote Similarity NPD2861 Phase 2
0.6977 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6972 Remote Similarity NPD2935 Discontinued
0.6963 Remote Similarity NPD2797 Approved
0.6947 Remote Similarity NPD5585 Approved
0.694 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6935 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5762 Approved
0.6923 Remote Similarity NPD5763 Approved
0.6918 Remote Similarity NPD3300 Phase 2
0.6917 Remote Similarity NPD2066 Phase 3
0.6912 Remote Similarity NPD257 Approved
0.6912 Remote Similarity NPD2798 Approved
0.6912 Remote Similarity NPD258 Approved
0.6901 Remote Similarity NPD2799 Discontinued
0.6899 Remote Similarity NPD6671 Approved
0.6897 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6894 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6894 Remote Similarity NPD17 Approved
0.6894 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6889 Remote Similarity NPD6696 Suspended
0.6885 Remote Similarity NPD1930 Approved
0.6885 Remote Similarity NPD1929 Approved
0.6885 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5283 Phase 1
0.687 Remote Similarity NPD2226 Clinical (unspecified phase)
0.687 Remote Similarity NPD7741 Discontinued
0.687 Remote Similarity NPD5304 Approved
0.687 Remote Similarity NPD7009 Phase 2
0.687 Remote Similarity NPD5303 Approved
0.6864 Remote Similarity NPD688 Clinical (unspecified phase)
0.686 Remote Similarity NPD3028 Approved
0.6859 Remote Similarity NPD8127 Discontinued
0.6857 Remote Similarity NPD6346 Approved
0.6857 Remote Similarity NPD943 Approved
0.6853 Remote Similarity NPD4476 Approved
0.6853 Remote Similarity NPD2531 Phase 2
0.6853 Remote Similarity NPD4477 Approved
0.6853 Remote Similarity NPD2438 Suspended
0.6849 Remote Similarity NPD8131 Suspended
0.6846 Remote Similarity NPD9568 Approved
0.6842 Remote Similarity NPD3847 Discontinued
0.6838 Remote Similarity NPD1088 Approved
0.6835 Remote Similarity NPD3268 Approved
0.6824 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6822 Remote Similarity NPD1793 Approved
0.6822 Remote Similarity NPD1791 Approved
0.6818 Remote Similarity NPD5691 Approved
0.6806 Remote Similarity NPD2344 Approved
0.6797 Remote Similarity NPD6858 Approved
0.6797 Remote Similarity NPD7094 Approved
0.6791 Remote Similarity NPD1535 Discovery
0.6788 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6783 Remote Similarity NPD7305 Phase 1
0.678 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6769 Remote Similarity NPD7157 Approved
0.6761 Remote Similarity NPD6653 Approved
0.6761 Remote Similarity NPD2157 Approved
0.6755 Remote Similarity NPD7458 Discontinued
0.6753 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6748 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6744 Remote Similarity NPD1241 Discontinued
0.6742 Remote Similarity NPD1894 Discontinued
0.6742 Remote Similarity NPD9545 Approved
0.6742 Remote Similarity NPD7330 Discontinued
0.6741 Remote Similarity NPD1481 Phase 2
0.6741 Remote Similarity NPD2233 Approved
0.6741 Remote Similarity NPD2232 Approved
0.6741 Remote Similarity NPD2230 Approved
0.6739 Remote Similarity NPD4208 Discontinued
0.6738 Remote Similarity NPD825 Approved
0.6738 Remote Similarity NPD826 Approved
0.6719 Remote Similarity NPD228 Approved
0.6716 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6714 Remote Similarity NPD2028 Clinical (unspecified phase)
0.6711 Remote Similarity NPD3645 Discontinued
0.6711 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6709 Remote Similarity NPD7315 Approved
0.6694 Remote Similarity NPD1237 Approved
0.6694 Remote Similarity NPD5909 Discontinued
0.6692 Remote Similarity NPD4235 Clinical (unspecified phase)
0.6692 Remote Similarity NPD497 Approved
0.6691 Remote Similarity NPD1669 Approved
0.6691 Remote Similarity NPD4359 Approved
0.6691 Remote Similarity NPD2614 Approved
0.6691 Remote Similarity NPD4207 Discontinued
0.669 Remote Similarity NPD4721 Approved

Structure

External Identifiers

PubChem CID   9547698
ChEMBL   CHEMBL518060
ZINC  

Physicochemical Properties

Molecular Weight:  396.30
ALogP:  2.1397
MLogP:  4.21
XLogP:  9.263
# Rotatable Bonds:  13
Polar Surface Area:  37.3
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  29

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