Natural Product: NPC233926

Natural Product ID:  NPC233926
Common Name:   Suberedamine B
IUPAC Name:   (2S)-3-(3-bromo-4-methoxyphenyl)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-2-(methylamino)propanamide
Synonyms:  
Molecular Formula:   C24H32Br3N3O3
Standard InCHIKey:  MNNHZXNEKPRDII-NRFANRHFSA-N
Standard InCHI:  InChI=1S/C24H32Br3N3O3/c1-28-21(15-16-6-7-22(32-4)18(25)12-16)24(31)29-9-8-17-13-19(26)23(20(27)14-17)33-11-5-10-30(2)3/h6-7,12-14,21,28H,5,8-11,15H2,1-4H3,(H,29,31)/t21-/m0/s1
Canonical SMILES:  CN[C@H](C(=NCCc1cc(Br)c(c(c1)Br)OCCCN(C)C)O)Cc1ccc(c(c1)Br)OC
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
NPO32567 suberea sp. Species Aplysinellidae Eukaryota PMID[11473442]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 > 10 ug/ml 22652254
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 12.6 ug/ml 22652254
NPT137 Cell Line L1210 Mus musculus IC50 = 8.6 ug/ml 22652254
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 128000 ug/ml Open TG-GATES in vivo data: Hematology
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 40 ug/ml Open TG-GATES in vivo data: Organ Weight
NPT554 Organism Candida glabrata Candida glabrata MIC > 128000 ug/ml Open TG-GATES in vivo data: Organ Weight
NPT1248 Organism Serratia marcescens Serratia marcescens MIC > 128000 ug/ml 19845338
NPT1108 Organism Mycobacterium bovis BCG Mycobacterium bovis BCG MIC = 40 ug/ml 10.6019/CHEMBL1201861
NPT2 Others Unspecified GI50 = 4786.3 nM 10.6019/CHEMBL1201861
NPT2 Others Unspecified GI50 = 5470 nM 10.6019/CHEMBL1201861
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC > 128000 ug/ml 19245261
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 128000 ug/ml 19245261
NPT19 Organism Escherichia coli Escherichia coli MIC = 128000 ug/ml 18955526
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 128000 ug/ml PubChem BioAssay data set
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes MIC > 128000 ug/ml PubChem BioAssay data set
NPT1264 Organism Burkholderia cepacia Burkholderia cepacia MIC > 128000 ug/ml 11170656
NPT1033 Organism Enterobacter cloacae Enterobacter cloacae MIC > 128000 ug/ml 18605718
NPT2894 Organism Providencia rettgeri Providencia rettgeri MIC > 128000 ug/ml DrugMatrix in vivo data: Hematology
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC > 128000 ug/ml DrugMatrix in vivo data: Hematology
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 128000 ug/ml 11473412
NPT4276 Organism Yersinia enterocolitica Yersinia enterocolitica MIC > 128000 ug/ml 21741249
NPT747 Organism Acinetobacter baumannii Acinetobacter baumannii MIC > 128000 ug/ml 20112995
NPT20 Organism Candida albicans Candida albicans MIC > 128000 ug/ml 17724156
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC > 128000 ug/ml 16420055
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC > 128000 ug/ml 16420055
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MIC > 128000 ug/ml 19654408
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC > 128000 ug/ml 26287401

  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 NPC233926 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
0.9792 High Similarity NPC47672
0.9329 High Similarity NPC156311
0.9252 High Similarity NPC76412
0.906 High Similarity NPC258222
0.9041 High Similarity NPC78530
0.8912 High Similarity NPC135349
0.8562 High Similarity NPC109968
0.8411 Intermediate Similarity NPC470472
0.8322 Intermediate Similarity NPC470470
0.8311 Intermediate Similarity NPC470471
0.8278 Intermediate Similarity NPC474128
0.82 Intermediate Similarity NPC474673
0.8194 Intermediate Similarity NPC110131
0.8129 Intermediate Similarity NPC296085
0.8125 Intermediate Similarity NPC272463
0.8013 Intermediate Similarity NPC71629
0.7974 Intermediate Similarity NPC212850
0.7974 Intermediate Similarity NPC83289
0.7974 Intermediate Similarity NPC189724
0.7925 Intermediate Similarity NPC469711
0.7908 Intermediate Similarity NPC128877
0.7871 Intermediate Similarity NPC308571
0.7867 Intermediate Similarity NPC97870
0.7867 Intermediate Similarity NPC247018
0.7867 Intermediate Similarity NPC307123
0.7771 Intermediate Similarity NPC247298
0.7682 Intermediate Similarity NPC475735
0.7673 Intermediate Similarity NPC245974
0.7633 Intermediate Similarity NPC477255
0.7616 Intermediate Similarity NPC474091
0.7613 Intermediate Similarity NPC213471
0.7598 Intermediate Similarity NPC227953
0.7584 Intermediate Similarity NPC248822
0.7566 Intermediate Similarity NPC473724
0.7557 Intermediate Similarity NPC259071
0.7557 Intermediate Similarity NPC77435
0.7543 Intermediate Similarity NPC477254
0.7534 Intermediate Similarity NPC263835
0.7529 Intermediate Similarity NPC475396
0.7516 Intermediate Similarity NPC274732
0.7514 Intermediate Similarity NPC475658
0.7514 Intermediate Similarity NPC473892
0.7467 Intermediate Similarity NPC320242
0.7459 Intermediate Similarity NPC475843
0.7458 Intermediate Similarity NPC121571
0.7458 Intermediate Similarity NPC8093
0.745 Intermediate Similarity NPC328267
0.7436 Intermediate Similarity NPC470249
0.7419 Intermediate Similarity NPC303993
0.7403 Intermediate Similarity NPC471338
0.7403 Intermediate Similarity NPC474678
0.7403 Intermediate Similarity NPC471953
0.7356 Intermediate Similarity NPC469979
0.7351 Intermediate Similarity NPC471337
0.7351 Intermediate Similarity NPC473450
0.7347 Intermediate Similarity NPC43275
0.7314 Intermediate Similarity NPC110454
0.7314 Intermediate Similarity NPC298981
0.7314 Intermediate Similarity NPC126128
0.7314 Intermediate Similarity NPC473462
0.7314 Intermediate Similarity NPC207819
0.7292 Intermediate Similarity NPC26524
0.7285 Intermediate Similarity NPC62101
0.7285 Intermediate Similarity NPC95733
0.7278 Intermediate Similarity NPC197045
0.7278 Intermediate Similarity NPC141405
0.7278 Intermediate Similarity NPC82741
0.7278 Intermediate Similarity NPC473409
0.7278 Intermediate Similarity NPC147847
0.7268 Intermediate Similarity NPC202866
0.7261 Intermediate Similarity NPC235633
0.7257 Intermediate Similarity NPC226001
0.7237 Intermediate Similarity NPC141739
0.7237 Intermediate Similarity NPC136112
0.7237 Intermediate Similarity NPC29477
0.7233 Intermediate Similarity NPC40321
0.7222 Intermediate Similarity NPC174607
0.7219 Intermediate Similarity NPC211218
0.7215 Intermediate Similarity NPC309667
0.7215 Intermediate Similarity NPC470248
0.72 Intermediate Similarity NPC225130
0.7193 Intermediate Similarity NPC254700
0.7191 Intermediate Similarity NPC301941
0.7191 Intermediate Similarity NPC214188
0.7191 Intermediate Similarity NPC74618
0.7188 Intermediate Similarity NPC470709
0.7181 Intermediate Similarity NPC321133
0.7179 Intermediate Similarity NPC470392
0.717 Intermediate Similarity NPC231163
0.717 Intermediate Similarity NPC318591
0.7167 Intermediate Similarity NPC49172
0.7161 Intermediate Similarity NPC99280
0.7161 Intermediate Similarity NPC135173
0.7134 Intermediate Similarity NPC132771
0.7127 Intermediate Similarity NPC471591
0.7123 Intermediate Similarity NPC115803
0.7115 Intermediate Similarity NPC11449
0.7114 Intermediate Similarity NPC283760
0.7114 Intermediate Similarity NPC256369
0.7101 Intermediate Similarity NPC287757
0.7101 Intermediate Similarity NPC319320
0.7089 Intermediate Similarity NPC71888
0.7089 Intermediate Similarity NPC120114
0.7088 Intermediate Similarity NPC246591
0.7083 Intermediate Similarity NPC471336
0.7083 Intermediate Similarity NPC470746
0.7081 Intermediate Similarity NPC168861
0.7081 Intermediate Similarity NPC469721
0.7079 Intermediate Similarity NPC290534
0.7074 Intermediate Similarity NPC123140
0.7063 Intermediate Similarity NPC214988
0.7055 Intermediate Similarity NPC59387
0.7044 Intermediate Similarity NPC237227
0.7039 Intermediate Similarity NPC471314
0.7039 Intermediate Similarity NPC471315
0.7037 Intermediate Similarity NPC204546
0.7033 Intermediate Similarity NPC96275
0.7033 Intermediate Similarity NPC144823
0.7025 Intermediate Similarity NPC267237
0.7 Intermediate Similarity NPC474587
0.7 Intermediate Similarity NPC475132
0.6988 Remote Similarity NPC324081
0.6966 Remote Similarity NPC143450
0.6962 Remote Similarity NPC474753
0.6957 Remote Similarity NPC475293
0.6954 Remote Similarity NPC17388
0.6954 Remote Similarity NPC53596
0.6954 Remote Similarity NPC471308
0.6954 Remote Similarity NPC289330
0.6954 Remote Similarity NPC160120
0.6944 Remote Similarity NPC97811
0.6943 Remote Similarity NPC474087
0.6943 Remote Similarity NPC195902
0.6941 Remote Similarity NPC56635
0.6927 Remote Similarity NPC475615
0.6923 Remote Similarity NPC78061
0.6923 Remote Similarity NPC159987
0.6923 Remote Similarity NPC122359
0.6918 Remote Similarity NPC163810
0.6915 Remote Similarity NPC469731
0.6914 Remote Similarity NPC470250
0.6913 Remote Similarity NPC82963
0.6908 Remote Similarity NPC318357
0.6902 Remote Similarity NPC470951
0.6899 Remote Similarity NPC114102
0.6899 Remote Similarity NPC326966
0.6898 Remote Similarity NPC80514
0.6882 Remote Similarity NPC206372
0.6882 Remote Similarity NPC203424
0.6879 Remote Similarity NPC22014
0.6867 Remote Similarity NPC38458
0.6867 Remote Similarity NPC311737
0.6859 Remote Similarity NPC301713
0.6846 Remote Similarity NPC303370
0.6846 Remote Similarity NPC317254
0.6842 Remote Similarity NPC207675
0.6842 Remote Similarity NPC212699
0.6815 Remote Similarity NPC280736
0.6815 Remote Similarity NPC251571
0.6813 Remote Similarity NPC475283
0.6813 Remote Similarity NPC152205
0.6803 Remote Similarity NPC166837
0.6788 Remote Similarity NPC470247
0.6786 Remote Similarity NPC277857
0.6786 Remote Similarity NPC115144
0.6779 Remote Similarity NPC118202
0.6774 Remote Similarity NPC255253
0.6772 Remote Similarity NPC155838
0.6772 Remote Similarity NPC471321
0.6772 Remote Similarity NPC471306
0.6772 Remote Similarity NPC325651
0.6766 Remote Similarity NPC313414
0.6766 Remote Similarity NPC9373
0.6765 Remote Similarity NPC475432
0.676 Remote Similarity NPC164608
0.6755 Remote Similarity NPC65714
0.6752 Remote Similarity NPC218323
0.675 Remote Similarity NPC214869
0.675 Remote Similarity NPC471335
0.6748 Remote Similarity NPC312770
0.6748 Remote Similarity NPC160607
0.6748 Remote Similarity NPC14600
0.6748 Remote Similarity NPC204848
0.6748 Remote Similarity NPC41473
0.6736 Remote Similarity NPC42383
0.6735 Remote Similarity NPC473358
0.6735 Remote Similarity NPC471339
0.6733 Remote Similarity NPC10286
0.6733 Remote Similarity NPC213
0.6731 Remote Similarity NPC236265
0.6731 Remote Similarity NPC213414
0.673 Remote Similarity NPC52029
0.673 Remote Similarity NPC35961
0.673 Remote Similarity NPC195749
0.671 Remote Similarity NPC116562
0.671 Remote Similarity NPC298486
0.6709 Remote Similarity NPC202776
0.6708 Remote Similarity NPC243404
0.6707 Remote Similarity NPC299583
0.6687 Remote Similarity NPC70485

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC233926 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
0.7987 Intermediate Similarity NPD2458 Approved
0.7987 Intermediate Similarity NPD2460 Phase 3
0.7987 Intermediate Similarity NPD2459 Approved
0.7867 Intermediate Similarity NPD1423 Approved
0.7829 Intermediate Similarity NPD3054 Approved
0.7829 Intermediate Similarity NPD3052 Approved
0.78 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.7736 Intermediate Similarity NPD2874 Phase 2
0.7564 Intermediate Similarity NPD3175 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD1818 Approved
0.7467 Intermediate Similarity NPD1820 Approved
0.7467 Intermediate Similarity NPD1819 Approved
0.7467 Intermediate Similarity NPD1817 Approved
0.745 Intermediate Similarity NPD2428 Approved
0.745 Intermediate Similarity NPD2429 Approved
0.7423 Intermediate Similarity NPD7131 Phase 3
0.7415 Intermediate Similarity NPD2554 Approved
0.7415 Intermediate Similarity NPD2556 Approved
0.7407 Intermediate Similarity NPD3985 Discontinued
0.7403 Intermediate Similarity NPD7477 Discontinued
0.7386 Intermediate Similarity NPD3165 Approved
0.7386 Intermediate Similarity NPD3164 Approved
0.7386 Intermediate Similarity NPD3166 Approved
0.7386 Intermediate Similarity NPD5163 Phase 2
0.7386 Intermediate Similarity NPD3167 Approved
0.7358 Intermediate Similarity NPD7153 Discontinued
0.7351 Intermediate Similarity NPD1770 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD6072 Discontinued
0.7337 Intermediate Similarity NPD8031 Discontinued
0.7333 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD4162 Approved
0.731 Intermediate Similarity NPD7485 Phase 3
0.731 Intermediate Similarity NPD7484 Phase 3
0.7301 Intermediate Similarity NPD3536 Discontinued
0.7301 Intermediate Similarity NPD6419 Discontinued
0.7301 Intermediate Similarity NPD5348 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3180 Approved
0.7273 Intermediate Similarity NPD3179 Approved
0.7256 Intermediate Similarity NPD2183 Approved
0.7256 Intermediate Similarity NPD52 Approved
0.7256 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD7526 Approved
0.7256 Intermediate Similarity NPD2184 Approved
0.7255 Intermediate Similarity NPD4993 Discontinued
0.7244 Intermediate Similarity NPD3597 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD6087 Phase 1
0.7237 Intermediate Similarity NPD1794 Approved
0.723 Intermediate Similarity NPD3049 Approved
0.7219 Intermediate Similarity NPD6583 Phase 3
0.7219 Intermediate Similarity NPD6582 Phase 2
0.7205 Intermediate Similarity NPD2976 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD2668 Approved
0.7181 Intermediate Similarity NPD2667 Approved
0.7179 Intermediate Similarity NPD5745 Approved
0.7179 Intermediate Similarity NPD3531 Approved
0.7179 Intermediate Similarity NPD3530 Approved
0.7179 Intermediate Similarity NPD3532 Approved
0.717 Intermediate Similarity NPD2156 Approved
0.717 Intermediate Similarity NPD2154 Approved
0.717 Intermediate Similarity NPD2155 Approved
0.7161 Intermediate Similarity NPD6179 Discontinued
0.7152 Intermediate Similarity NPD2561 Approved
0.7152 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD2562 Approved
0.7143 Intermediate Similarity NPD3596 Phase 2
0.7143 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD5160 Discontinued
0.7117 Intermediate Similarity NPD3692 Discontinued
0.7114 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD6584 Phase 3
0.7078 Intermediate Similarity NPD7451 Discontinued
0.7069 Intermediate Similarity NPD7608 Discontinued
0.7063 Intermediate Similarity NPD6380 Phase 1
0.7059 Intermediate Similarity NPD5772 Approved
0.7059 Intermediate Similarity NPD5773 Approved
0.7051 Intermediate Similarity NPD5746 Approved
0.7047 Intermediate Similarity NPD6581 Approved
0.7047 Intermediate Similarity NPD6580 Approved
0.7039 Intermediate Similarity NPD2231 Phase 2
0.7039 Intermediate Similarity NPD2235 Phase 2
0.7019 Intermediate Similarity NPD2239 Approved
0.7019 Intermediate Similarity NPD2240 Approved
0.7019 Intermediate Similarity NPD3156 Discontinued
0.7007 Intermediate Similarity NPD593 Approved
0.7007 Intermediate Similarity NPD595 Approved
0.7006 Intermediate Similarity NPD3374 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2595 Approved
0.7 Intermediate Similarity NPD3552 Approved
0.7 Intermediate Similarity NPD4018 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3554 Approved
0.7 Intermediate Similarity NPD3553 Approved
0.7 Intermediate Similarity NPD2594 Approved
0.7 Intermediate Similarity NPD3555 Approved
0.6994 Remote Similarity NPD6364 Approved
0.6994 Remote Similarity NPD44 Approved
0.6994 Remote Similarity NPD5062 Approved
0.6994 Remote Similarity NPD5061 Approved
0.6994 Remote Similarity NPD3060 Approved
0.6988 Remote Similarity NPD4123 Phase 3
0.6988 Remote Similarity NPD7019 Approved
0.6988 Remote Similarity NPD7020 Approved
0.6987 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6986 Remote Similarity NPD821 Approved
0.6962 Remote Similarity NPD3162 Approved
0.6962 Remote Similarity NPD3163 Approved
0.6959 Remote Similarity NPD2557 Approved
0.6959 Remote Similarity NPD3465 Clinical (unspecified phase)
0.6957 Remote Similarity NPD7425 Clinical (unspecified phase)
0.6943 Remote Similarity NPD9718 Approved
0.6936 Remote Similarity NPD8070 Approved
0.6923 Remote Similarity NPD6523 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5266 Clinical (unspecified phase)
0.6919 Remote Similarity NPD3558 Approved
0.6919 Remote Similarity NPD3559 Clinical (unspecified phase)
0.6919 Remote Similarity NPD3557 Approved
0.6919 Remote Similarity NPD3560 Approved
0.6919 Remote Similarity NPD3556 Approved
0.6914 Remote Similarity NPD1725 Approved
0.6909 Remote Similarity NPD2677 Approved
0.6905 Remote Similarity NPD5586 Clinical (unspecified phase)
0.6901 Remote Similarity NPD5356 Approved
0.6901 Remote Similarity NPD5722 Discontinued
0.6901 Remote Similarity NPD5355 Approved
0.6887 Remote Similarity NPD6382 Discontinued
0.6886 Remote Similarity NPD2505 Approved
0.6886 Remote Similarity NPD1771 Clinical (unspecified phase)
0.6886 Remote Similarity NPD2504 Approved
0.6883 Remote Similarity NPD1669 Approved
0.6882 Remote Similarity NPD4180 Approved
0.6882 Remote Similarity NPD4179 Approved
0.6871 Remote Similarity NPD5865 Clinical (unspecified phase)
0.6867 Remote Similarity NPD317 Approved
0.6867 Remote Similarity NPD318 Approved
0.686 Remote Similarity NPD7046 Clinical (unspecified phase)
0.6859 Remote Similarity NPD2987 Approved
0.6859 Remote Similarity NPD7018 Phase 2
0.6859 Remote Similarity NPD2990 Approved
0.6855 Remote Similarity NPD2245 Discovery
0.6848 Remote Similarity NPD6331 Phase 2
0.6845 Remote Similarity NPD4186 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7438 Suspended
0.6839 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6836 Remote Similarity NPD2216 Approved
0.6836 Remote Similarity NPD2215 Approved
0.6829 Remote Similarity NPD4149 Clinical (unspecified phase)
0.6821 Remote Similarity NPD2486 Discontinued
0.6815 Remote Similarity NPD2250 Discontinued
0.6813 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6802 Remote Similarity NPD4227 Discontinued
0.68 Remote Similarity NPD5709 Phase 3
0.6795 Remote Similarity NPD4098 Discontinued
0.6791 Remote Similarity NPD5165 Clinical (unspecified phase)
0.6788 Remote Similarity NPD4237 Approved
0.6788 Remote Similarity NPD4236 Phase 3
0.6784 Remote Similarity NPD4675 Approved
0.6784 Remote Similarity NPD4678 Approved
0.6778 Remote Similarity NPD6042 Phase 2
0.6778 Remote Similarity NPD42 Phase 2
0.6774 Remote Similarity NPD3685 Discontinued
0.6774 Remote Similarity NPD6542 Approved
0.6774 Remote Similarity NPD6543 Approved
0.6774 Remote Similarity NPD4129 Approved
0.6774 Remote Similarity NPD6539 Approved
0.6774 Remote Similarity NPD6540 Phase 3
0.6768 Remote Similarity NPD3336 Discovery
0.6766 Remote Similarity NPD6667 Approved
0.6766 Remote Similarity NPD6666 Approved
0.6765 Remote Similarity NPD5267 Discontinued
0.6761 Remote Similarity NPD4666 Phase 3
0.6755 Remote Similarity NPD856 Approved
0.6755 Remote Similarity NPD16 Approved
0.6752 Remote Similarity NPD3690 Phase 2
0.6752 Remote Similarity NPD3691 Phase 2
0.675 Remote Similarity NPD6405 Approved
0.675 Remote Similarity NPD4474 Approved
0.675 Remote Similarity NPD7265 Discontinued
0.675 Remote Similarity NPD839 Approved
0.675 Remote Similarity NPD6407 Approved
0.675 Remote Similarity NPD4475 Approved
0.675 Remote Similarity NPD840 Approved
0.6748 Remote Similarity NPD2661 Clinical (unspecified phase)
0.6747 Remote Similarity NPD6658 Clinical (unspecified phase)
0.6747 Remote Similarity NPD7066 Clinical (unspecified phase)
0.6744 Remote Similarity NPD6677 Suspended
0.6744 Remote Similarity NPD2541 Clinical (unspecified phase)
0.6742 Remote Similarity NPD4083 Discontinued
0.6731 Remote Similarity NPD6541 Approved
0.6731 Remote Similarity NPD6538 Approved
0.673 Remote Similarity NPD3136 Phase 2
0.6728 Remote Similarity NPD2157 Approved
0.6727 Remote Similarity NPD7045 Clinical (unspecified phase)
0.6726 Remote Similarity NPD7598 Phase 2
0.671 Remote Similarity NPD2233 Approved
0.671 Remote Similarity NPD2232 Approved
0.671 Remote Similarity NPD2230 Approved
0.6709 Remote Similarity NPD1712 Approved
0.6707 Remote Similarity NPD2161 Phase 2
0.6707 Remote Similarity NPD5241 Discontinued
0.6706 Remote Similarity NPD3033 Phase 2
0.6703 Remote Similarity NPD6339 Approved

Structure

External Identifiers

PubChem CID   10258717
ChEMBL   CHEMBL465833
ZINC  

Physicochemical Properties

Molecular Weight:  647.00
ALogP:  1.9621
MLogP:  3.11
XLogP:  5.408
# Rotatable Bonds:  21
Polar Surface Area:  66.32
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  33

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Similar NPs/Drugs