Natural Product: NPC96930

Natural Product ID:  NPC96930
Common Name:   Cycloartenol Ferulate
IUPAC Name:  
Synonyms:   3-O-Ferulylcycloartenol; Cycloartenol Ferulate; Cycloartenol Trans-Ferulate; Cycloartenyl Ferulate; Gamma-Oryzanol
Molecular Formula:   C40H58O4
Standard InCHIKey:  FODTZLFLDFKIQH-FSVGXZBPSA-N
Standard InCHI:  InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27-,29-,32+,33+,34+,37-,38+,39-,40+/m1/s1
Canonical SMILES:  COc1cc(/C=C/C(=O)O[C@H]2CC[C@]34[C@H](C2(C)C)CC[C@@H]2[C@@]4(C3)CC[C@]3([C@@]2(C)CC[C@@H]3[C@@H](CCC=C(C)C)C)C)ccc1O
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
NPO33293 rice bran NA NA NA PMID[15679326]
NPO30270 Cordyceps sinensis Species Cordycipitaceae Eukaryota PMID[21848266]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Inhibition = 19.7 % 17877337
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Inhibition = 100 % 19877653
NPT2 Others Unspecified Potency 6740 nM 16038541
NPT2 Others Unspecified Potency 7497.8 nM 15711537
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 = 2.2 ug/ml 22197393
NPT80 Cell Line Raji Homo sapiens Activity = 70 % 16562843
NPT2 Others Unspecified Potency 6007 nM 19285414
NPT2 Others Unspecified Potency 29849.3 nM 20813528
NPT2 Others Unspecified Potency 23710.1 nM 10.6019/CHEMBL1201861
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 IC50 = 15.9 nM 23631483
NPT2 Others Unspecified Potency 3790.2 nM 17567069
NPT2 Others Unspecified Potency 2683.2 nM 8158155
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 26832.5 nM 19371071
NPT2 Others Unspecified AC50 44668.4 nM 12880316
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 10682.2 nM 15332848
NPT2 Others Unspecified Inhibition = 82 % 21082802
NPT2 Others Unspecified Inhibition = 64 % 21082802
NPT2 Others Unspecified Inhibition = 57 % 21082802
NPT2 Others Unspecified Inhibition = 59 % 9584401
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 11882.3 nM 13678412
NPT2 Others Unspecified Potency 237.1 nM 12662101
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 3349.1 nM 23046382
NPT2 Others Unspecified Potency 1508.9 nM 18183025
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Inhibition = 56 % 10.6019/CHEMBL1201861
NPT2 Others Unspecified Inhibition = 56 % 23977995
NPT2 Others Unspecified Inhibition = 29 % 23977995
NPT2 Others Unspecified Inhibition = 90 % 23977995
NPT2 Others Unspecified Inhibition = 28 % 23977995
NPT2 Others Unspecified Inhibition = 40 % 23977995
NPT2 Others Unspecified Inhibition = 13 % 23977995
NPT2 Others Unspecified Inhibition = -40 % 23977995
NPT2 Others Unspecified Inhibition = 28.25 % 24328283
NPT2 Others Unspecified Inhibition = 41.59 % 24328283
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 2391.4 nM 10869203
NPT2 Others Unspecified Potency 29849.3 nM 15217289
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 1693 nM 22445674
NPT2 Others Unspecified Activity = 1.5 15497961
NPT2 Others Unspecified Potency 25118.9 nM 20392109
NPT2 Others Unspecified Potency 4216.3 nM 18183025
NPT2 Others Unspecified Potency 5353.8 nM 27109867
NPT2 Others Unspecified Potency 7497.8 nM 22085418
NPT2 Others Unspecified Potency 1508.9 nM 24387703
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 26 % 21377877
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 29 % 21377877
NPT2 Others Unspecified Inhibition = 28 % 10924160
NPT2 Others Unspecified Inhibition = 13 % 10924160
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Inhibition = 84.7 % 18667320
NPT2 Others Unspecified Inhibition = 51 % PubChem BioAssay data set
NPT2 Others Unspecified Inhibition = 69 % PubChem BioAssay data set
NPT2 Others Unspecified Inhibition = 92 % 23944963
NPT2 Others Unspecified Potency 3378 nM 18227183
NPT2 Others Unspecified Potency 1693 nM 19029325
NPT83 Cell Line MCF7 Homo sapiens IC50 = 80000 nM 24927053
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 6740 nM 10.1016/j.indcrop.2012.05.026
NPT2 Others Unspecified Inhibition = 94 % 15921411
NPT2 Others Unspecified AC50 39810.7 nM 22071302

  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 NPC96930 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 NPC32017
0.9929 High Similarity NPC273358
0.9929 High Similarity NPC298647
0.9929 High Similarity NPC292206
0.9786 High Similarity NPC235195
0.9786 High Similarity NPC19862
0.9645 High Similarity NPC280717
0.9645 High Similarity NPC271607
0.9448 High Similarity NPC470619
0.9448 High Similarity NPC208785
0.9448 High Similarity NPC470618
0.9448 High Similarity NPC145527
0.9388 High Similarity NPC205392
0.9388 High Similarity NPC105942
0.9371 High Similarity NPC307205
0.9231 High Similarity NPC252133
0.9225 High Similarity NPC473612
0.922 High Similarity NPC132723
0.922 High Similarity NPC76032
0.9161 High Similarity NPC35212
0.9097 High Similarity NPC310621
0.9034 High Similarity NPC26045
0.8993 High Similarity NPC118033
0.8966 High Similarity NPC235557
0.8933 High Similarity NPC475579
0.8933 High Similarity NPC473773
0.8912 High Similarity NPC8102
0.8912 High Similarity NPC66894
0.8867 High Similarity NPC475311
0.8867 High Similarity NPC473579
0.8867 High Similarity NPC473680
0.8867 High Similarity NPC475454
0.8819 High Similarity NPC182249
0.8759 High Similarity NPC473591
0.8759 High Similarity NPC271494
0.8759 High Similarity NPC470616
0.8759 High Similarity NPC106055
0.8759 High Similarity NPC470617
0.8759 High Similarity NPC110699
0.8759 High Similarity NPC155192
0.8734 High Similarity NPC200726
0.8714 High Similarity NPC30174
0.869 High Similarity NPC116742
0.869 High Similarity NPC139243
0.8681 High Similarity NPC476699
0.8679 High Similarity NPC177362
0.8679 High Similarity NPC286809
0.8671 High Similarity NPC11266
0.8625 High Similarity NPC202428
0.8625 High Similarity NPC266545
0.8581 High Similarity NPC469447
0.8581 High Similarity NPC477873
0.8552 High Similarity NPC120852
0.8523 High Similarity NPC471876
0.8506 High Similarity NPC115203
0.8467 Intermediate Similarity NPC53520
0.8451 Intermediate Similarity NPC83062
0.8435 Intermediate Similarity NPC234548
0.8435 Intermediate Similarity NPC248287
0.8403 Intermediate Similarity NPC321502
0.8389 Intermediate Similarity NPC67467
0.8369 Intermediate Similarity NPC213552
0.8369 Intermediate Similarity NPC120225
0.8367 Intermediate Similarity NPC471152
0.8357 Intermediate Similarity NPC60517
0.8357 Intermediate Similarity NPC146886
0.8357 Intermediate Similarity NPC20443
0.8322 Intermediate Similarity NPC304110
0.8322 Intermediate Similarity NPC86257
0.8322 Intermediate Similarity NPC29599
0.8322 Intermediate Similarity NPC27518
0.8301 Intermediate Similarity NPC102934
0.8301 Intermediate Similarity NPC252402
0.8298 Intermediate Similarity NPC289459
0.8291 Intermediate Similarity NPC125495
0.8255 Intermediate Similarity NPC471875
0.8252 Intermediate Similarity NPC478215
0.8231 Intermediate Similarity NPC252343
0.8227 Intermediate Similarity NPC10154
0.8227 Intermediate Similarity NPC246704
0.8227 Intermediate Similarity NPC265413
0.8224 Intermediate Similarity NPC163898
0.8224 Intermediate Similarity NPC473909
0.8224 Intermediate Similarity NPC274960
0.8224 Intermediate Similarity NPC143120
0.8205 Intermediate Similarity NPC478268
0.8194 Intermediate Similarity NPC288290
0.8176 Intermediate Similarity NPC90431
0.8169 Intermediate Similarity NPC266705
0.8169 Intermediate Similarity NPC228771
0.8169 Intermediate Similarity NPC29008
0.8163 Intermediate Similarity NPC471942
0.8163 Intermediate Similarity NPC67247
0.8158 Intermediate Similarity NPC25491
0.8158 Intermediate Similarity NPC96447
0.8153 Intermediate Similarity NPC475141
0.8146 Intermediate Similarity NPC472410
0.8143 Intermediate Similarity NPC70752
0.8141 Intermediate Similarity NPC178048
0.8133 Intermediate Similarity NPC475197
0.8133 Intermediate Similarity NPC473467
0.8125 Intermediate Similarity NPC201069
0.8125 Intermediate Similarity NPC277458
0.8125 Intermediate Similarity NPC478269
0.8125 Intermediate Similarity NPC307050
0.8121 Intermediate Similarity NPC281780
0.8121 Intermediate Similarity NPC472803
0.8108 Intermediate Similarity NPC477874
0.8108 Intermediate Similarity NPC173569
0.8101 Intermediate Similarity NPC473736
0.8101 Intermediate Similarity NPC62051
0.8095 Intermediate Similarity NPC227719
0.8095 Intermediate Similarity NPC475468
0.8089 Intermediate Similarity NPC124842
0.8077 Intermediate Similarity NPC261322
0.8072 Intermediate Similarity NPC469772
0.8072 Intermediate Similarity NPC469778
0.8072 Intermediate Similarity NPC469777
0.8072 Intermediate Similarity NPC469774
0.8072 Intermediate Similarity NPC32723
0.8072 Intermediate Similarity NPC100925
0.8072 Intermediate Similarity NPC469775
0.8072 Intermediate Similarity NPC135334
0.8072 Intermediate Similarity NPC295941
0.8072 Intermediate Similarity NPC469773
0.8072 Intermediate Similarity NPC469776
0.8071 Intermediate Similarity NPC204466
0.8067 Intermediate Similarity NPC318575
0.8065 Intermediate Similarity NPC236166
0.8065 Intermediate Similarity NPC95990
0.8054 Intermediate Similarity NPC471988
0.8054 Intermediate Similarity NPC68292
0.8054 Intermediate Similarity NPC249817
0.8042 Intermediate Similarity NPC9067
0.8041 Intermediate Similarity NPC4982
0.8041 Intermediate Similarity NPC135127
0.8041 Intermediate Similarity NPC300776
0.8041 Intermediate Similarity NPC471110
0.8041 Intermediate Similarity NPC5310
0.8041 Intermediate Similarity NPC68779
0.8041 Intermediate Similarity NPC176814
0.8039 Intermediate Similarity NPC238216
0.8039 Intermediate Similarity NPC208994
0.8039 Intermediate Similarity NPC224884
0.8039 Intermediate Similarity NPC185388
0.8039 Intermediate Similarity NPC209085
0.8039 Intermediate Similarity NPC84684
0.8037 Intermediate Similarity NPC100420
0.8028 Intermediate Similarity NPC31344
0.8028 Intermediate Similarity NPC317769
0.8027 Intermediate Similarity NPC227002
0.8026 Intermediate Similarity NPC131971
0.8025 Intermediate Similarity NPC478267
0.8025 Intermediate Similarity NPC216916
0.8025 Intermediate Similarity NPC261659
0.8013 Intermediate Similarity NPC279442
0.8013 Intermediate Similarity NPC475250
0.8013 Intermediate Similarity NPC253591
0.8 Intermediate Similarity NPC198621
0.8 Intermediate Similarity NPC472938
0.8 Intermediate Similarity NPC472937
0.8 Intermediate Similarity NPC475482
0.8 Intermediate Similarity NPC202474
0.8 Intermediate Similarity NPC126206
0.8 Intermediate Similarity NPC11411
0.8 Intermediate Similarity NPC208818
0.8 Intermediate Similarity NPC478248
0.8 Intermediate Similarity NPC472936
0.8 Intermediate Similarity NPC22676
0.8 Intermediate Similarity NPC216940
0.8 Intermediate Similarity NPC110313
0.7987 Intermediate Similarity NPC43353
0.7974 Intermediate Similarity NPC470273
0.7963 Intermediate Similarity NPC478265
0.7961 Intermediate Similarity NPC470372
0.7961 Intermediate Similarity NPC78987
0.7961 Intermediate Similarity NPC82336
0.795 Intermediate Similarity NPC471878
0.795 Intermediate Similarity NPC470827
0.7943 Intermediate Similarity NPC470848
0.7943 Intermediate Similarity NPC470849
0.7933 Intermediate Similarity NPC154485
0.7933 Intermediate Similarity NPC471664
0.7933 Intermediate Similarity NPC471665
0.7933 Intermediate Similarity NPC470733
0.7933 Intermediate Similarity NPC471872
0.7927 Intermediate Similarity NPC45943
0.7925 Intermediate Similarity NPC223720
0.7922 Intermediate Similarity NPC264706
0.7922 Intermediate Similarity NPC284881
0.7922 Intermediate Similarity NPC93433
0.7922 Intermediate Similarity NPC474444
0.7922 Intermediate Similarity NPC471065
0.7922 Intermediate Similarity NPC253015
0.7919 Intermediate Similarity NPC141023
0.7919 Intermediate Similarity NPC311256
0.7919 Intermediate Similarity NPC473054
0.7914 Intermediate Similarity NPC149873
0.7914 Intermediate Similarity NPC7191
0.7911 Intermediate Similarity NPC269914

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC96930 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
0.8481 Intermediate Similarity NPD8127 Discontinued
0.8403 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.8403 Intermediate Similarity NPD3620 Phase 2
0.8389 Intermediate Similarity NPD8166 Discontinued
0.8027 Intermediate Similarity NPD4140 Approved
0.7885 Intermediate Similarity NPD6273 Approved
0.7829 Intermediate Similarity NPD5762 Approved
0.7829 Intermediate Similarity NPD5763 Approved
0.7808 Intermediate Similarity NPD5736 Approved
0.7792 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD4110 Phase 3
0.7785 Intermediate Similarity NPD4060 Phase 1
0.7733 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD5735 Approved
0.7688 Intermediate Similarity NPD7028 Phase 2
0.7655 Intermediate Similarity NPD5327 Phase 3
0.7655 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD7833 Phase 2
0.7622 Intermediate Similarity NPD7831 Phase 2
0.7616 Intermediate Similarity NPD3657 Discovery
0.76 Intermediate Similarity NPD8032 Phase 2
0.76 Intermediate Similarity NPD6663 Approved
0.7584 Intermediate Similarity NPD7095 Approved
0.7576 Intermediate Similarity NPD6234 Discontinued
0.7566 Intermediate Similarity NPD6353 Approved
0.7516 Intermediate Similarity NPD7458 Discontinued
0.75 Intermediate Similarity NPD7685 Pre-registration
0.75 Intermediate Similarity NPD4626 Approved
0.75 Intermediate Similarity NPD4624 Approved
0.75 Intermediate Similarity NPD6355 Discontinued
0.7484 Intermediate Similarity NPD7266 Discontinued
0.7471 Intermediate Similarity NPD7228 Approved
0.7452 Intermediate Similarity NPD7003 Approved
0.7431 Intermediate Similarity NPD5691 Approved
0.7403 Intermediate Similarity NPD7097 Phase 1
0.7401 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD3092 Approved
0.7389 Intermediate Similarity NPD6674 Discontinued
0.7378 Intermediate Similarity NPD37 Approved
0.7376 Intermediate Similarity NPD5283 Phase 1
0.7375 Intermediate Similarity NPD7446 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD3091 Approved
0.7357 Intermediate Similarity NPD228 Approved
0.7351 Intermediate Similarity NPD3027 Phase 3
0.7349 Intermediate Similarity NPD4967 Phase 2
0.7349 Intermediate Similarity NPD4965 Approved
0.7349 Intermediate Similarity NPD4966 Approved
0.7342 Intermediate Similarity NPD4628 Phase 3
0.7315 Intermediate Similarity NPD3094 Phase 2
0.7312 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD7199 Phase 2
0.7246 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD6653 Approved
0.7225 Intermediate Similarity NPD5844 Phase 1
0.7219 Intermediate Similarity NPD2861 Phase 2
0.7193 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD1357 Approved
0.719 Intermediate Similarity NPD6798 Discontinued
0.7172 Intermediate Similarity NPD5536 Phase 2
0.716 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD7157 Approved
0.7151 Intermediate Similarity NPD2898 Approved
0.7143 Intermediate Similarity NPD3095 Discontinued
0.7143 Intermediate Similarity NPD3019 Approved
0.7134 Intermediate Similarity NPD1653 Approved
0.7125 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD7473 Discontinued
0.7097 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD1613 Approved
0.7095 Intermediate Similarity NPD3496 Discontinued
0.7092 Intermediate Similarity NPD3021 Approved
0.7092 Intermediate Similarity NPD3022 Approved
0.7091 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD5585 Approved
0.7071 Intermediate Similarity NPD1358 Approved
0.7067 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD2489 Approved
0.7052 Intermediate Similarity NPD27 Approved
0.7035 Intermediate Similarity NPD6232 Discontinued
0.7027 Intermediate Similarity NPD2932 Approved
0.7027 Intermediate Similarity NPD4059 Approved
0.7022 Intermediate Similarity NPD7311 Approved
0.7022 Intermediate Similarity NPD7310 Approved
0.7022 Intermediate Similarity NPD7313 Approved
0.7022 Intermediate Similarity NPD7312 Approved
0.702 Intermediate Similarity NPD1283 Approved
0.702 Intermediate Similarity NPD8651 Approved
0.7019 Intermediate Similarity NPD6331 Phase 2
0.7012 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD4097 Suspended
0.7006 Intermediate Similarity NPD7240 Approved
0.7 Intermediate Similarity NPD3134 Approved
0.6993 Remote Similarity NPD9494 Approved
0.6983 Remote Similarity NPD7309 Approved
0.6981 Remote Similarity NPD2438 Suspended
0.6981 Remote Similarity NPD2935 Discontinued
0.6975 Remote Similarity NPD6190 Approved
0.697 Remote Similarity NPD5699 Approved
0.6968 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6964 Remote Similarity NPD1934 Approved
0.6954 Remote Similarity NPD4481 Phase 3
0.6949 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6948 Remote Similarity NPD4908 Phase 1
0.6948 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6944 Remote Similarity NPD7843 Approved
0.6944 Remote Similarity NPD5535 Approved
0.6941 Remote Similarity NPD7768 Phase 2
0.6936 Remote Similarity NPD3051 Approved
0.6933 Remote Similarity NPD7236 Approved
0.6933 Remote Similarity NPD3705 Approved
0.6927 Remote Similarity NPD8312 Approved
0.6927 Remote Similarity NPD4578 Approved
0.6927 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6927 Remote Similarity NPD8313 Approved
0.6927 Remote Similarity NPD4577 Approved
0.6923 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6233 Phase 2
0.6918 Remote Similarity NPD4198 Discontinued
0.6905 Remote Similarity NPD6873 Phase 2
0.6905 Remote Similarity NPD6677 Suspended
0.6899 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6897 Remote Similarity NPD2970 Approved
0.6897 Remote Similarity NPD2969 Approved
0.6894 Remote Similarity NPD7037 Approved
0.6892 Remote Similarity NPD7741 Discontinued
0.6889 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6883 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6879 Remote Similarity NPD2979 Phase 3
0.6868 Remote Similarity NPD7906 Approved
0.6864 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6863 Remote Similarity NPD2797 Approved
0.6859 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6857 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6857 Remote Similarity NPD6166 Phase 2
0.6857 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6852 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7497 Discontinued
0.6842 Remote Similarity NPD4359 Approved
0.6842 Remote Similarity NPD3882 Suspended
0.6835 Remote Similarity NPD5124 Phase 1
0.6835 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6824 Remote Similarity NPD8455 Phase 2
0.6824 Remote Similarity NPD1465 Phase 2
0.6824 Remote Similarity NPD7819 Suspended
0.6821 Remote Similarity NPD1281 Approved
0.6818 Remote Similarity NPD5647 Approved
0.6818 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6813 Remote Similarity NPD8434 Phase 2
0.6813 Remote Similarity NPD2799 Discontinued
0.681 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6802 Remote Similarity NPD7075 Discontinued
0.68 Remote Similarity NPD1778 Approved
0.6798 Remote Similarity NPD7074 Phase 3
0.6797 Remote Similarity NPD1876 Approved
0.6795 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6793 Remote Similarity NPD2490 Approved
0.6793 Remote Similarity NPD2488 Approved
0.679 Remote Similarity NPD5958 Discontinued
0.679 Remote Similarity NPD4534 Discontinued
0.6788 Remote Similarity NPD7040 Clinical (unspecified phase)
0.6788 Remote Similarity NPD7041 Phase 2
0.6786 Remote Similarity NPD3455 Phase 2
0.6783 Remote Similarity NPD2684 Approved
0.678 Remote Similarity NPD3818 Discontinued
0.6778 Remote Similarity NPD7549 Discontinued
0.677 Remote Similarity NPD2161 Phase 2
0.6766 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6765 Remote Similarity NPD5714 Approved
0.6765 Remote Similarity NPD5722 Discontinued
0.6757 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6755 Remote Similarity NPD3026 Approved
0.6755 Remote Similarity NPD3023 Approved
0.6754 Remote Similarity NPD7680 Approved
0.6753 Remote Similarity NPD987 Approved
0.6752 Remote Similarity NPD3764 Approved
0.6752 Remote Similarity NPD7985 Registered
0.6752 Remote Similarity NPD3268 Approved
0.6748 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6747 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6742 Remote Similarity NPD7054 Approved
0.6733 Remote Similarity NPD3025 Approved
0.6733 Remote Similarity NPD3024 Approved
0.673 Remote Similarity NPD447 Suspended
0.673 Remote Similarity NPD4340 Discontinued
0.6728 Remote Similarity NPD2346 Discontinued
0.6726 Remote Similarity NPD7239 Suspended
0.6725 Remote Similarity NPD2801 Approved
0.6725 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6724 Remote Similarity NPD4666 Phase 3
0.6724 Remote Similarity NPD5494 Approved
0.6721 Remote Similarity NPD4663 Approved
0.672 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6711 Remote Similarity NPD1611 Approved
0.671 Remote Similarity NPD6584 Phase 3
0.6709 Remote Similarity NPD4870 Approved
0.6709 Remote Similarity NPD4062 Phase 3
0.6709 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6708 Remote Similarity NPD7743 Approved

Structure

External Identifiers

PubChem CID   5282164
ChEMBL   CHEMBL388595
ZINC  

Physicochemical Properties

Molecular Weight:  602.43
ALogP:  3.5158
MLogP:  5.42
XLogP:  13.972
# Rotatable Bonds:  18
Polar Surface Area:  55.76
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  44

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