Natural Product: NPC477037

Natural Product ID:  NPC477037
Common Name:   [(E,2R,3R)-1-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-9-(2,5-dihydroxyphenyl)-3,7-dimethylnon-7-en-2-yl] hydrogen sulfate
IUPAC Name:   [(E,2R,3R)-1-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-9-(2,5-dihydroxyphenyl)-3,7-dimethylnon-7-en-2-yl] hydrogen sulfate
Synonyms:  
Molecular Formula:   C31H48O6S.C3H9N3
Standard InCHIKey:  PGXCZDFDIRBXDW-NHDYRKAGSA-N
Standard InCHI:  InChI=1S/C31H48O6S.C3H9N3/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6;1-6(2)3(4)5/h11-12,14-15,19,23,26,28-29,32-33H,7-10,13,16-18,20H2,1-6H3,(H,34,35,36);1-2H3,(H3,4,5)/b21-11+;/t23-,26+,28-,29+,31-;/m1./s1
Canonical SMILES:  CN(C(=N)N)C.C/C(=CCc1cc(O)ccc1O)/CCC[C@H]([C@H](OS(=O)(=O)O)C[C@H]1C(=CC[C@@H]2[C@]1(C)CCCC2(C)C)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
NPO32617 dysidea sp. Species Dysideidae Eukaryota at 10–20 m depth from Chuuk Atoll, Federated States of Micronesia PMID[18824352]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1087 Individual Protein Isocitrate lyase Candida albicans IC50 = 157500 nM 18824352
NPT20 Organism Candida albicans Candida albicans IC50 = 157500 nM 18824352
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 50 ug/ml 18824352
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 6.25 ug/ml 18824352
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC > 100 ug/ml 18824352
NPT766 Organism Proteus vulgaris Proteus vulgaris MIC = 12.5 ug/ml 18824352
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC = 50 ug/ml 18824352
NPT19 Organism Escherichia coli Escherichia coli MIC > 100 ug/ml 18824352

  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 NPC477037 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 NPC325544
1.0 High Similarity NPC318581
0.9735 High Similarity NPC323074
0.9286 High Similarity NPC177962
0.9286 High Similarity NPC62867
0.9196 High Similarity NPC266937
0.9196 High Similarity NPC470770
0.9027 High Similarity NPC77772
0.8839 High Similarity NPC320439
0.8803 High Similarity NPC141001
0.875 High Similarity NPC155072
0.8729 High Similarity NPC477136
0.8644 High Similarity NPC308828
0.8644 High Similarity NPC92
0.8644 High Similarity NPC469663
0.8632 High Similarity NPC471534
0.8621 High Similarity NPC228425
0.856 High Similarity NPC476536
0.8559 High Similarity NPC147179
0.8512 High Similarity NPC135467
0.8512 High Similarity NPC260832
0.85 High Similarity NPC469609
0.8496 Intermediate Similarity NPC47284
0.8487 Intermediate Similarity NPC477137
0.8487 Intermediate Similarity NPC38893
0.8487 Intermediate Similarity NPC219112
0.8487 Intermediate Similarity NPC308311
0.8475 Intermediate Similarity NPC268160
0.8462 Intermediate Similarity NPC250323
0.8455 Intermediate Similarity NPC478058
0.8448 Intermediate Similarity NPC132720
0.8448 Intermediate Similarity NPC13482
0.843 Intermediate Similarity NPC469644
0.8421 Intermediate Similarity NPC53740
0.8403 Intermediate Similarity NPC35797
0.8403 Intermediate Similarity NPC192948
0.8376 Intermediate Similarity NPC54373
0.8348 Intermediate Similarity NPC474352
0.8347 Intermediate Similarity NPC471671
0.8347 Intermediate Similarity NPC154030
0.8333 Intermediate Similarity NPC257540
0.8333 Intermediate Similarity NPC474358
0.8333 Intermediate Similarity NPC247858
0.8333 Intermediate Similarity NPC471668
0.8333 Intermediate Similarity NPC137496
0.8333 Intermediate Similarity NPC154511
0.8333 Intermediate Similarity NPC474387
0.8319 Intermediate Similarity NPC269212
0.8305 Intermediate Similarity NPC302371
0.8304 Intermediate Similarity NPC248396
0.8304 Intermediate Similarity NPC48730
0.8304 Intermediate Similarity NPC129373
0.8291 Intermediate Similarity NPC296683
0.8291 Intermediate Similarity NPC141782
0.8279 Intermediate Similarity NPC151197
0.8264 Intermediate Similarity NPC320864
0.8264 Intermediate Similarity NPC304510
0.8264 Intermediate Similarity NPC172219
0.8246 Intermediate Similarity NPC475225
0.8246 Intermediate Similarity NPC323810
0.823 Intermediate Similarity NPC477685
0.823 Intermediate Similarity NPC12221
0.823 Intermediate Similarity NPC252105
0.822 Intermediate Similarity NPC469912
0.822 Intermediate Similarity NPC260323
0.822 Intermediate Similarity NPC176279
0.8217 Intermediate Similarity NPC472793
0.8214 Intermediate Similarity NPC260775
0.8197 Intermediate Similarity NPC164649
0.8197 Intermediate Similarity NPC48342
0.8174 Intermediate Similarity NPC117115
0.8167 Intermediate Similarity NPC195922
0.8158 Intermediate Similarity NPC235762
0.8158 Intermediate Similarity NPC471228
0.8158 Intermediate Similarity NPC108497
0.8154 Intermediate Similarity NPC473047
0.8145 Intermediate Similarity NPC328504
0.8142 Intermediate Similarity NPC130756
0.8142 Intermediate Similarity NPC12931
0.8142 Intermediate Similarity NPC70677
0.813 Intermediate Similarity NPC93071
0.8125 Intermediate Similarity NPC152097
0.812 Intermediate Similarity NPC11554
0.8103 Intermediate Similarity NPC469913
0.8099 Intermediate Similarity NPC469719
0.8087 Intermediate Similarity NPC475580
0.8087 Intermediate Similarity NPC272029
0.807 Intermediate Similarity NPC80800
0.8067 Intermediate Similarity NPC95716
0.8067 Intermediate Similarity NPC322753
0.8065 Intermediate Similarity NPC68339
0.8053 Intermediate Similarity NPC299762
0.8053 Intermediate Similarity NPC33675
0.8051 Intermediate Similarity NPC473524
0.8049 Intermediate Similarity NPC48781
0.8049 Intermediate Similarity NPC9592
0.8049 Intermediate Similarity NPC206
0.8034 Intermediate Similarity NPC66834
0.8034 Intermediate Similarity NPC151477
0.8031 Intermediate Similarity NPC248557
0.803 Intermediate Similarity NPC211352
0.8017 Intermediate Similarity NPC474114
0.8017 Intermediate Similarity NPC473931
0.8017 Intermediate Similarity NPC474050
0.8016 Intermediate Similarity NPC152946
0.8016 Intermediate Similarity NPC471794
0.8015 Intermediate Similarity NPC153019
0.8 Intermediate Similarity NPC46940
0.8 Intermediate Similarity NPC233827
0.8 Intermediate Similarity NPC32322
0.8 Intermediate Similarity NPC259703
0.7984 Intermediate Similarity NPC121866
0.7984 Intermediate Similarity NPC126002
0.7982 Intermediate Similarity NPC294741
0.7982 Intermediate Similarity NPC72729
0.7982 Intermediate Similarity NPC174911
0.7969 Intermediate Similarity NPC76119
0.7969 Intermediate Similarity NPC4286
0.7967 Intermediate Similarity NPC16030
0.7966 Intermediate Similarity NPC262365
0.7965 Intermediate Similarity NPC474073
0.7965 Intermediate Similarity NPC6597
0.7965 Intermediate Similarity NPC79241
0.7965 Intermediate Similarity NPC475078
0.7955 Intermediate Similarity NPC289624
0.7955 Intermediate Similarity NPC85595
0.7955 Intermediate Similarity NPC27578
0.7953 Intermediate Similarity NPC471187
0.7951 Intermediate Similarity NPC246760
0.7951 Intermediate Similarity NPC232165
0.7951 Intermediate Similarity NPC474486
0.7951 Intermediate Similarity NPC84999
0.7949 Intermediate Similarity NPC21594
0.7949 Intermediate Similarity NPC54765
0.7937 Intermediate Similarity NPC253627
0.7937 Intermediate Similarity NPC77569
0.7937 Intermediate Similarity NPC142198
0.7934 Intermediate Similarity NPC296144
0.7934 Intermediate Similarity NPC28784
0.7934 Intermediate Similarity NPC715
0.7934 Intermediate Similarity NPC319803
0.7923 Intermediate Similarity NPC176590
0.7923 Intermediate Similarity NPC47288
0.7917 Intermediate Similarity NPC275627
0.7917 Intermediate Similarity NPC308689
0.791 Intermediate Similarity NPC279463
0.7903 Intermediate Similarity NPC206205
0.7899 Intermediate Similarity NPC58865
0.7891 Intermediate Similarity NPC265413
0.7891 Intermediate Similarity NPC10154
0.7891 Intermediate Similarity NPC181334
0.7891 Intermediate Similarity NPC474532
0.7881 Intermediate Similarity NPC472980
0.7879 Intermediate Similarity NPC258073
0.7876 Intermediate Similarity NPC312132
0.7876 Intermediate Similarity NPC259512
0.7874 Intermediate Similarity NPC11250
0.7874 Intermediate Similarity NPC71094
0.7869 Intermediate Similarity NPC12656
0.7863 Intermediate Similarity NPC138942
0.7857 Intermediate Similarity NPC129176
0.7857 Intermediate Similarity NPC152415
0.7851 Intermediate Similarity NPC98372
0.7851 Intermediate Similarity NPC228452
0.7846 Intermediate Similarity NPC471077
0.7846 Intermediate Similarity NPC471530
0.784 Intermediate Similarity NPC51341
0.7833 Intermediate Similarity NPC44732
0.7833 Intermediate Similarity NPC208229
0.7829 Intermediate Similarity NPC124030
0.7829 Intermediate Similarity NPC87985
0.7826 Intermediate Similarity NPC225506
0.7826 Intermediate Similarity NPC130103
0.7823 Intermediate Similarity NPC299180
0.7815 Intermediate Similarity NPC95344
0.7815 Intermediate Similarity NPC64586
0.7812 Intermediate Similarity NPC198014
0.7797 Intermediate Similarity NPC310456
0.7797 Intermediate Similarity NPC67250
0.7797 Intermediate Similarity NPC271274
0.7795 Intermediate Similarity NPC154696
0.7795 Intermediate Similarity NPC475839
0.7788 Intermediate Similarity NPC222146
0.7788 Intermediate Similarity NPC32714
0.7787 Intermediate Similarity NPC23804
0.7787 Intermediate Similarity NPC261343
0.7778 Intermediate Similarity NPC475245
0.7778 Intermediate Similarity NPC288411
0.7778 Intermediate Similarity NPC238696
0.7769 Intermediate Similarity NPC151537
0.7769 Intermediate Similarity NPC71610
0.7769 Intermediate Similarity NPC224527
0.7768 Intermediate Similarity NPC3358
0.7768 Intermediate Similarity NPC306884
0.7768 Intermediate Similarity NPC162314
0.7768 Intermediate Similarity NPC94139
0.7768 Intermediate Similarity NPC55903
0.7768 Intermediate Similarity NPC29373
0.7768 Intermediate Similarity NPC210497
0.7768 Intermediate Similarity NPC147284

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477037 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
0.8462 Intermediate Similarity NPD7635 Approved
0.8361 Intermediate Similarity NPD3095 Discontinued
0.8304 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.8197 Intermediate Similarity NPD3091 Approved
0.7969 Intermediate Similarity NPD3094 Phase 2
0.7937 Intermediate Similarity NPD3092 Approved
0.7876 Intermediate Similarity NPD288 Approved
0.7788 Intermediate Similarity NPD844 Approved
0.7778 Intermediate Similarity NPD2932 Approved
0.775 Intermediate Similarity NPD4750 Phase 3
0.7742 Intermediate Similarity NPD7325 Clinical (unspecified phase)
0.7739 Intermediate Similarity NPD3020 Approved
0.7731 Intermediate Similarity NPD2342 Discontinued
0.7717 Intermediate Similarity NPD3026 Approved
0.7717 Intermediate Similarity NPD3023 Approved
0.771 Intermediate Similarity NPD5736 Approved
0.7656 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7656 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7638 Intermediate Similarity NPD4059 Approved
0.7638 Intermediate Similarity NPD3019 Approved
0.7611 Intermediate Similarity NPD845 Approved
0.7603 Intermediate Similarity NPD3021 Approved
0.7603 Intermediate Similarity NPD3022 Approved
0.7559 Intermediate Similarity NPD3025 Approved
0.7559 Intermediate Similarity NPD3024 Approved
0.7544 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.752 Intermediate Similarity NPD6671 Approved
0.75 Intermediate Similarity NPD7159 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD6663 Approved
0.748 Intermediate Similarity NPD6124 Clinical (unspecified phase)
0.7478 Intermediate Similarity NPD2859 Approved
0.7478 Intermediate Similarity NPD1809 Phase 2
0.7478 Intermediate Similarity NPD2860 Approved
0.7444 Intermediate Similarity NPD2861 Phase 2
0.744 Intermediate Similarity NPD497 Approved
0.7407 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD2933 Approved
0.7391 Intermediate Similarity NPD2934 Approved
0.736 Intermediate Similarity NPD495 Approved
0.736 Intermediate Similarity NPD496 Approved
0.736 Intermediate Similarity NPD498 Approved
0.7348 Intermediate Similarity NPD6696 Suspended
0.7338 Intermediate Similarity NPD7742 Approved
0.7338 Intermediate Similarity NPD7743 Approved
0.7317 Intermediate Similarity NPD1792 Phase 2
0.7273 Intermediate Similarity NPD5327 Phase 3
0.7231 Intermediate Similarity NPD1751 Approved
0.7188 Intermediate Similarity NPD7340 Approved
0.7174 Intermediate Similarity NPD3620 Phase 2
0.7174 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD4339 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD4093 Discontinued
0.7122 Intermediate Similarity NPD5735 Approved
0.7111 Intermediate Similarity NPD4624 Approved
0.7107 Intermediate Similarity NPD5700 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD4869 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD8166 Discontinued
0.7077 Intermediate Similarity NPD7330 Discontinued
0.7073 Intermediate Similarity NPD1445 Approved
0.7073 Intermediate Similarity NPD1444 Approved
0.7071 Intermediate Similarity NPD6353 Approved
0.7071 Intermediate Similarity NPD4097 Suspended
0.7068 Intermediate Similarity NPD2232 Approved
0.7068 Intermediate Similarity NPD2230 Approved
0.7068 Intermediate Similarity NPD2233 Approved
0.7059 Intermediate Similarity NPD3637 Approved
0.7059 Intermediate Similarity NPD3635 Approved
0.7059 Intermediate Similarity NPD3636 Approved
0.705 Intermediate Similarity NPD4060 Phase 1
0.705 Intermediate Similarity NPD4140 Approved
0.7045 Intermediate Similarity NPD3496 Discontinued
0.7025 Intermediate Similarity NPD846 Approved
0.7025 Intermediate Similarity NPD940 Approved
0.7015 Intermediate Similarity NPD4749 Approved
0.7007 Intermediate Similarity NPD2605 Approved
0.7007 Intermediate Similarity NPD2606 Approved
0.7 Intermediate Similarity NPD3657 Discovery
0.6992 Remote Similarity NPD1201 Approved
0.6985 Remote Similarity NPD2194 Approved
0.6985 Remote Similarity NPD2195 Approved
0.6977 Remote Similarity NPD6387 Discontinued
0.697 Remote Similarity NPD2286 Discontinued
0.697 Remote Similarity NPD4626 Approved
0.697 Remote Similarity NPD4589 Approved
0.6957 Remote Similarity NPD5156 Approved
0.6957 Remote Similarity NPD4625 Phase 3
0.6957 Remote Similarity NPD5155 Approved
0.6953 Remote Similarity NPD2228 Approved
0.6953 Remote Similarity NPD2234 Approved
0.6953 Remote Similarity NPD2229 Approved
0.6953 Remote Similarity NPD1398 Phase 1
0.6947 Remote Similarity NPD2226 Clinical (unspecified phase)
0.6947 Remote Similarity NPD7741 Discontinued
0.6944 Remote Similarity NPD4257 Approved
0.6944 Remote Similarity NPD4256 Phase 2
0.6935 Remote Similarity NPD968 Approved
0.6923 Remote Similarity NPD7636 Approved
0.6918 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6912 Remote Similarity NPD1470 Approved
0.6906 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6897 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6897 Remote Similarity NPD3638 Discontinued
0.6884 Remote Similarity NPD3594 Approved
0.6884 Remote Similarity NPD4908 Phase 1
0.6884 Remote Similarity NPD3595 Approved
0.6875 Remote Similarity NPD5762 Approved
0.6875 Remote Similarity NPD5763 Approved
0.6866 Remote Similarity NPD1611 Approved
0.6853 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6846 Remote Similarity NPD6090 Discontinued
0.6846 Remote Similarity NPD7157 Approved
0.6842 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6838 Remote Similarity NPD8651 Approved
0.6824 Remote Similarity NPD7040 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7041 Phase 2
0.6822 Remote Similarity NPD5283 Phase 1
0.6818 Remote Similarity NPD5303 Approved
0.6818 Remote Similarity NPD5304 Approved
0.6809 Remote Similarity NPD2238 Phase 2
0.6809 Remote Similarity NPD6346 Approved
0.6806 Remote Similarity NPD6099 Approved
0.6806 Remote Similarity NPD6100 Approved
0.6803 Remote Similarity NPD1242 Phase 1
0.6779 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6769 Remote Similarity NPD1793 Approved
0.6769 Remote Similarity NPD9618 Approved
0.6769 Remote Similarity NPD1791 Approved
0.6769 Remote Similarity NPD9614 Approved
0.6767 Remote Similarity NPD4235 Clinical (unspecified phase)
0.6767 Remote Similarity NPD5691 Approved
0.6757 Remote Similarity NPD3300 Phase 2
0.6754 Remote Similarity NPD111 Approved
0.6741 Remote Similarity NPD1610 Phase 2
0.6735 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6714 Remote Similarity NPD3027 Phase 3
0.6691 Remote Similarity NPD2235 Phase 2
0.6691 Remote Similarity NPD2231 Phase 2
0.669 Remote Similarity NPD2935 Discontinued
0.6667 Remote Similarity NPD405 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3028 Approved
0.6645 Remote Similarity NPD5929 Approved
0.6644 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6644 Remote Similarity NPD4726 Approved
0.6644 Remote Similarity NPD4725 Approved
0.6644 Remote Similarity NPD4721 Approved
0.6642 Remote Similarity NPD4659 Approved
0.6642 Remote Similarity NPD5585 Approved
0.6641 Remote Similarity NPD1476 Clinical (unspecified phase)
0.6641 Remote Similarity NPD2629 Approved
0.6641 Remote Similarity NPD475 Phase 2
0.662 Remote Similarity NPD6405 Approved
0.662 Remote Similarity NPD4248 Discontinued
0.662 Remote Similarity NPD6407 Approved
0.6619 Remote Similarity NPD6584 Phase 3
0.6617 Remote Similarity NPD9616 Approved
0.6617 Remote Similarity NPD9615 Approved
0.6617 Remote Similarity NPD9613 Approved
0.6596 Remote Similarity NPD7095 Approved
0.6594 Remote Similarity NPD1283 Approved
0.6593 Remote Similarity NPD7725 Approved
0.6593 Remote Similarity NPD1778 Approved
0.6591 Remote Similarity NPD709 Approved
0.6577 Remote Similarity NPD8131 Suspended
0.6573 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6573 Remote Similarity NPD1613 Approved
0.6567 Remote Similarity NPD316 Approved
0.656 Remote Similarity NPD9500 Approved
0.6556 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6556 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6556 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6556 Remote Similarity NPD3645 Discontinued
0.6554 Remote Similarity NPD6674 Discontinued
0.6552 Remote Similarity NPD7718 Clinical (unspecified phase)
0.6547 Remote Similarity NPD4103 Phase 2
0.6547 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6544 Remote Similarity NPD3143 Discontinued
0.6538 Remote Similarity NPD228 Approved
0.6528 Remote Similarity NPD6355 Discontinued
0.6525 Remote Similarity NPD600 Approved
0.6525 Remote Similarity NPD596 Approved
0.6522 Remote Similarity NPD1755 Approved
0.6519 Remote Similarity NPD1651 Approved
0.6519 Remote Similarity NPD4196 Clinical (unspecified phase)
0.651 Remote Similarity NPD3892 Phase 2
0.651 Remote Similarity NPD7003 Approved
0.6507 Remote Similarity NPD1753 Discontinued
0.6503 Remote Similarity NPD839 Approved
0.6503 Remote Similarity NPD8032 Phase 2
0.6503 Remote Similarity NPD840 Approved
0.6493 Remote Similarity NPD7644 Approved
0.6489 Remote Similarity NPD7843 Approved
0.6489 Remote Similarity NPD1138 Approved
0.6486 Remote Similarity NPD7037 Approved
0.6484 Remote Similarity NPD290 Approved
0.6471 Remote Similarity NPD5126 Approved
0.6471 Remote Similarity NPD2667 Approved
0.6471 Remote Similarity NPD2668 Approved
0.6471 Remote Similarity NPD5125 Phase 3

Structure

External Identifiers

PubChem CID   49797587;44588854
ChEMBL   CHEMBL450482
ZINC  

Physicochemical Properties

Molecular Weight:  548.32
ALogP:  1.9123
MLogP:  4.1
XLogP:  8.084
# Rotatable Bonds:  20
Polar Surface Area:  112.44
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  38

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs