Natural Product: NPC475432

Natural Product ID:  NPC475432
Common Name:   Bastadin 3
IUPAC Name:   (2Z)-3-[3-bromo-5-[3-bromo-5-[(2Z)-3-[2-(3-bromo-4-hydroxyphenyl)ethylamino]-2-hydroxyimino-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide
Synonyms:   Bastadin 3
Molecular Formula:   C34H30Br4N4O8
Standard InCHIKey:  XEGSWNKCRGYRFG-HEPSPIFKSA-N
Standard InCHI:  InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,43-46,49-50H,5-8,15-16H2,(H,39,47)(H,40,48)/b41-27-,42-28-
Canonical SMILES:  O/N=C(C(=NCCc1ccc(c(c1)Br)O)O)/Cc1cc(Br)c(c(c1)c1cc(C/C(=N/O)/C(=NCCc2ccc(c(c2)Br)O)O)cc(c1O)Br)O
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
NPO33031 ianthella cf. reticulata Species Ianthellidae Eukaryota PMID[20102170]
NPO16920 Ianthella basta Species Ianthellidae Eukaryota PMID[23249297]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1478 Individual Protein Vascular endothelial growth factor receptor 2 Homo sapiens IC50 = 1200 nM 24273638
NPT36 Individual Protein Tyrosine-protein kinase SRC Homo sapiens IC50 = 1900 nM 24273638
NPT2576 Individual Protein Tyrosine-protein kinase TIE-2 Homo sapiens IC50 = 800 nM 24273638
NPT2573 Individual Protein Vascular endothelial growth factor receptor 3 Homo sapiens IC50 = 2800 nM 24273638
NPT286 Individual Protein Receptor protein-tyrosine kinase erbB-2 Homo sapiens IC50 = 2100 nM 15165148
NPT1650 Individual Protein Tyrosine-protein kinase receptor FLT3 Homo sapiens IC50 = 2400 nM 15165148
NPT1432 Individual Protein Serine/threonine-protein kinase Aurora-A Homo sapiens IC50 = 100 nM 12088419
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens IC50 = 3900 nM 19441846
NPT285 Individual Protein Epidermal growth factor receptor erbB1 Homo sapiens IC50 = 1300 nM 18507472
NPT2572 Individual Protein Ephrin type-B receptor 4 Homo sapiens IC50 = 3400 nM 26295746
NPT728 Individual Protein Serine/threonine-protein kinase AKT Homo sapiens IC50 = 1900 nM 19928902
NPT1660 Individual Protein NUAK family SNF1-like kinase 1 Homo sapiens IC50 = 1800 nM 25621853
NPT2574 Individual Protein Insulin receptor Homo sapiens IC50 = 2900 nM PubChem BioAssay data set
NPT1438 Individual Protein Insulin-like growth factor I receptor Homo sapiens IC50 = 2300 nM PubChem BioAssay data set
NPT1436 Individual Protein Focal adhesion kinase 1 Homo sapiens IC50 = 2100 nM PubChem BioAssay data set
NPT1337 Individual Protein Hepatocyte growth factor receptor Homo sapiens IC50 = 1100 nM PubChem BioAssay data set
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 3.12 ug 19689125
NPT1560 Protein Complex Cyclin-dependent kinase 4/cyclin D1 Homo sapiens IC50 = 1500 nM 16724845
NPT1598 Individual Protein Casein kinase II alpha Homo sapiens IC50 = 4100 nM 16724845
NPT2571 Individual Protein Mitogen-activated protein kinase kinase kinase 8 Homo sapiens IC50 = 1600 nM 16724845
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 1.56 ug 20387902
NPT1433 Individual Protein Serine/threonine-protein kinase Aurora-B Homo sapiens IC50 = 500 nM 24033131
NPT1702 Individual Protein Serine/threonine-protein kinase PLK4 Homo sapiens IC50 = 4100 nM 23145909
NPT2575 Individual Protein Platelet-derived growth factor receptor beta Homo sapiens IC50 = 3300 nM 9873631
NPT1522 Organism Neisseria gonorrhoeae Neisseria gonorrhoeae MIC = 0.78 ug Open TG-GATES in vivo data: Hematology
NPT2 Others Unspecified IC50 = 2700 nM 22220635
NPT3814 Protein Complex Cyclin-dependent kinase 2/cyclin A Homo sapiens IC50 = 1600 nM 22220635

  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 NPC475432 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
0.9724 High Similarity NPC473738
0.92 High Similarity NPC123848
0.8652 High Similarity NPC474091
0.8462 Intermediate Similarity NPC475735
0.8443 Intermediate Similarity NPC470951
0.8163 Intermediate Similarity NPC120114
0.8163 Intermediate Similarity NPC71888
0.8079 Intermediate Similarity NPC474128
0.8061 Intermediate Similarity NPC225130
0.8054 Intermediate Similarity NPC309667
0.8012 Intermediate Similarity NPC469979
0.7964 Intermediate Similarity NPC473462
0.7964 Intermediate Similarity NPC298981
0.7964 Intermediate Similarity NPC126128
0.7964 Intermediate Similarity NPC110454
0.7964 Intermediate Similarity NPC207819
0.7959 Intermediate Similarity NPC473724
0.7933 Intermediate Similarity NPC474587
0.7933 Intermediate Similarity NPC475132
0.7917 Intermediate Similarity NPC290534
0.7904 Intermediate Similarity NPC226001
0.7881 Intermediate Similarity NPC475293
0.7824 Intermediate Similarity NPC214188
0.7824 Intermediate Similarity NPC74618
0.7824 Intermediate Similarity NPC301941
0.7688 Intermediate Similarity NPC49172
0.7661 Intermediate Similarity NPC475396
0.7644 Intermediate Similarity NPC144823
0.76 Intermediate Similarity NPC141405
0.76 Intermediate Similarity NPC473409
0.76 Intermediate Similarity NPC82741
0.7544 Intermediate Similarity NPC475615
0.7543 Intermediate Similarity NPC475658
0.7543 Intermediate Similarity NPC471591
0.7543 Intermediate Similarity NPC473892
0.7517 Intermediate Similarity NPC202776
0.7514 Intermediate Similarity NPC152205
0.7514 Intermediate Similarity NPC475283
0.75 Intermediate Similarity NPC163810
0.7453 Intermediate Similarity NPC258222
0.7434 Intermediate Similarity NPC166624
0.7434 Intermediate Similarity NPC474753
0.7419 Intermediate Similarity NPC197045
0.7389 Intermediate Similarity NPC469721
0.7386 Intermediate Similarity NPC184465
0.7337 Intermediate Similarity NPC156055
0.7308 Intermediate Similarity NPC469731
0.7273 Intermediate Similarity NPC156311
0.7241 Intermediate Similarity NPC38458
0.7241 Intermediate Similarity NPC311737
0.7222 Intermediate Similarity NPC88896
0.7172 Intermediate Similarity NPC82963
0.7092 Intermediate Similarity NPC471495
0.7091 Intermediate Similarity NPC7398
0.7078 Intermediate Similarity NPC99280
0.7034 Intermediate Similarity NPC94217
0.703 Intermediate Similarity NPC109968
0.7012 Intermediate Similarity NPC20755
0.7007 Intermediate Similarity NPC299180
0.6993 Remote Similarity NPC473358
0.6987 Remote Similarity NPC244866
0.6986 Remote Similarity NPC317254
0.6972 Remote Similarity NPC96224
0.6972 Remote Similarity NPC24101
0.6966 Remote Similarity NPC33244
0.6966 Remote Similarity NPC59387
0.6923 Remote Similarity NPC258056
0.6923 Remote Similarity NPC54543
0.6913 Remote Similarity NPC268572
0.6899 Remote Similarity NPC303993
0.6886 Remote Similarity NPC47672
0.6875 Remote Similarity NPC213471
0.6875 Remote Similarity NPC474149
0.6871 Remote Similarity NPC78530
0.6871 Remote Similarity NPC135349
0.6853 Remote Similarity NPC153690
0.6842 Remote Similarity NPC195766
0.6842 Remote Similarity NPC206736
0.6831 Remote Similarity NPC231705
0.6824 Remote Similarity NPC261973
0.681 Remote Similarity NPC100478
0.681 Remote Similarity NPC222039
0.6809 Remote Similarity NPC288411
0.6803 Remote Similarity NPC115803
0.6803 Remote Similarity NPC118202
0.68 Remote Similarity NPC90984
0.68 Remote Similarity NPC283760
0.6772 Remote Similarity NPC43613
0.6768 Remote Similarity NPC470472
0.6765 Remote Similarity NPC233926
0.6761 Remote Similarity NPC138942
0.6759 Remote Similarity NPC471487
0.675 Remote Similarity NPC312155
0.6738 Remote Similarity NPC168829
0.6735 Remote Similarity NPC471488
0.6735 Remote Similarity NPC322239
0.6733 Remote Similarity NPC122009
0.6713 Remote Similarity NPC271274
0.6711 Remote Similarity NPC471486
0.6707 Remote Similarity NPC118794
0.669 Remote Similarity NPC473372
0.6689 Remote Similarity NPC38483
0.6667 Remote Similarity NPC142297
0.6667 Remote Similarity NPC283468
0.6667 Remote Similarity NPC471592
0.6667 Remote Similarity NPC76412
0.6644 Remote Similarity NPC296683
0.6632 Remote Similarity NPC254581
0.6625 Remote Similarity NPC300678
0.6621 Remote Similarity NPC262365
0.662 Remote Similarity NPC178902
0.6608 Remote Similarity NPC275027
0.6604 Remote Similarity NPC326966
0.6603 Remote Similarity NPC28476
0.6603 Remote Similarity NPC133407
0.6601 Remote Similarity NPC284078
0.6599 Remote Similarity NPC308689
0.6599 Remote Similarity NPC95716
0.6587 Remote Similarity NPC5462
0.6582 Remote Similarity NPC325651
0.6582 Remote Similarity NPC471064
0.6554 Remote Similarity NPC46940
0.6543 Remote Similarity NPC64205
0.6541 Remote Similarity NPC474087
0.6536 Remote Similarity NPC69006
0.6532 Remote Similarity NPC107602
0.6531 Remote Similarity NPC44732
0.6522 Remote Similarity NPC267237
0.6519 Remote Similarity NPC477839
0.6516 Remote Similarity NPC296202
0.651 Remote Similarity NPC321589
0.651 Remote Similarity NPC715
0.6508 Remote Similarity NPC65714
0.6505 Remote Similarity NPC249113
0.6497 Remote Similarity NPC220311
0.6494 Remote Similarity NPC71870
0.6491 Remote Similarity NPC265473
0.6491 Remote Similarity NPC276665
0.6483 Remote Similarity NPC54765
0.6478 Remote Similarity NPC271808
0.6471 Remote Similarity NPC43275
0.6471 Remote Similarity NPC233702
0.6467 Remote Similarity NPC473137
0.6467 Remote Similarity NPC12656
0.6463 Remote Similarity NPC470470
0.6463 Remote Similarity NPC314187
0.6456 Remote Similarity NPC476353
0.6452 Remote Similarity NPC7830
0.6443 Remote Similarity NPC286222
0.6442 Remote Similarity NPC470471
0.6441 Remote Similarity NPC179250
0.6441 Remote Similarity NPC50380
0.6438 Remote Similarity NPC259665
0.6438 Remote Similarity NPC474614
0.6438 Remote Similarity NPC89769
0.6438 Remote Similarity NPC126859
0.6434 Remote Similarity NPC51015
0.6433 Remote Similarity NPC213414
0.6424 Remote Similarity NPC476989
0.6421 Remote Similarity NPC476565
0.6404 Remote Similarity NPC328649
0.64 Remote Similarity NPC76400
0.6398 Remote Similarity NPC114102
0.6398 Remote Similarity NPC472369
0.6398 Remote Similarity NPC275538
0.6395 Remote Similarity NPC95344
0.6393 Remote Similarity NPC24435
0.6386 Remote Similarity NPC168861
0.6379 Remote Similarity NPC56635
0.6375 Remote Similarity NPC124802
0.6369 Remote Similarity NPC105999
0.6369 Remote Similarity NPC12824
0.6368 Remote Similarity NPC259350
0.6368 Remote Similarity NPC223236
0.6364 Remote Similarity NPC214988
0.6358 Remote Similarity NPC142599
0.6358 Remote Similarity NPC127402
0.6358 Remote Similarity NPC195922
0.6358 Remote Similarity NPC52475
0.6353 Remote Similarity NPC245974
0.6352 Remote Similarity NPC283508
0.6352 Remote Similarity NPC35341
0.6346 Remote Similarity NPC474862
0.6341 Remote Similarity NPC6570
0.6339 Remote Similarity NPC474051
0.6333 Remote Similarity NPC228988
0.6331 Remote Similarity NPC247298
0.6325 Remote Similarity NPC197921
0.6323 Remote Similarity NPC475245
0.6322 Remote Similarity NPC18614
0.6319 Remote Similarity NPC243404
0.6316 Remote Similarity NPC37302
0.6312 Remote Similarity NPC251571
0.6306 Remote Similarity NPC471315
0.6306 Remote Similarity NPC471314
0.6306 Remote Similarity NPC120172
0.6296 Remote Similarity NPC45191
0.6291 Remote Similarity NPC141003
0.6291 Remote Similarity NPC35344
0.6291 Remote Similarity NPC309808

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475432 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
0.7105 Intermediate Similarity NPD7451 Discontinued
0.677 Remote Similarity NPD1169 Approved
0.6768 Remote Similarity NPD3400 Discontinued
0.6733 Remote Similarity NPD5304 Approved
0.6733 Remote Similarity NPD5303 Approved
0.6709 Remote Similarity NPD8011 Discontinued
0.6689 Remote Similarity NPD4093 Discontinued
0.6688 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6687 Remote Similarity NPD6809 Clinical (unspecified phase)
0.6626 Remote Similarity NPD7450 Phase 2
0.6622 Remote Similarity NPD2229 Approved
0.6622 Remote Similarity NPD2228 Approved
0.6622 Remote Similarity NPD2234 Approved
0.6601 Remote Similarity NPD3421 Phase 3
0.6581 Remote Similarity NPD1669 Approved
0.657 Remote Similarity NPD7438 Suspended
0.6566 Remote Similarity NPD7066 Clinical (unspecified phase)
0.6562 Remote Similarity NPD7477 Discontinued
0.6541 Remote Similarity NPD1223 Clinical (unspecified phase)
0.6503 Remote Similarity NPD3552 Approved
0.6503 Remote Similarity NPD3555 Approved
0.6503 Remote Similarity NPD3554 Approved
0.6503 Remote Similarity NPD3553 Approved
0.6488 Remote Similarity NPD7554 Discontinued
0.6438 Remote Similarity NPD2372 Approved
0.6438 Remote Similarity NPD5155 Approved
0.6438 Remote Similarity NPD9718 Approved
0.6438 Remote Similarity NPD5156 Approved
0.642 Remote Similarity NPD6346 Approved
0.6402 Remote Similarity NPD7718 Clinical (unspecified phase)
0.6382 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6375 Remote Similarity NPD2606 Approved
0.6375 Remote Similarity NPD2605 Approved
0.6375 Remote Similarity NPD3595 Approved
0.6375 Remote Similarity NPD3594 Approved
0.6364 Remote Similarity NPD6867 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6866 Clinical (unspecified phase)
0.6358 Remote Similarity NPD5729 Clinical (unspecified phase)
0.6358 Remote Similarity NPD6407 Approved
0.6358 Remote Similarity NPD6405 Approved
0.6353 Remote Similarity NPD2421 Approved
0.6353 Remote Similarity NPD2420 Approved
0.6328 Remote Similarity NPD7773 Phase 2
0.6327 Remote Similarity NPD2342 Discontinued
0.6323 Remote Similarity NPD2286 Discontinued
0.6319 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6316 Remote Similarity NPD7019 Approved
0.6316 Remote Similarity NPD7020 Approved
0.6306 Remote Similarity NPD2337 Clinical (unspecified phase)
0.6299 Remote Similarity NPD2226 Clinical (unspecified phase)
0.6294 Remote Similarity NPD3020 Approved
0.6294 Remote Similarity NPD3845 Phase 1
0.6292 Remote Similarity NPD8070 Approved
0.629 Remote Similarity NPD2802 Phase 3
0.629 Remote Similarity NPD7883 Discontinued
0.6289 Remote Similarity NPD4103 Phase 2
0.6289 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6287 Remote Similarity NPD7978 Discontinued
0.6282 Remote Similarity NPD3143 Discontinued
0.6279 Remote Similarity NPD2183 Approved
0.6279 Remote Similarity NPD2184 Approved
0.6266 Remote Similarity NPD4659 Approved
0.625 Remote Similarity NPD7596 Clinical (unspecified phase)
0.625 Remote Similarity NPD8019 Approved
0.6242 Remote Similarity NPD1792 Phase 2
0.6235 Remote Similarity NPD8131 Suspended
0.6235 Remote Similarity NPD3136 Phase 2
0.6218 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6211 Remote Similarity NPD3636 Approved
0.6211 Remote Similarity NPD3637 Approved
0.6211 Remote Similarity NPD3635 Approved
0.6197 Remote Similarity NPD2860 Approved
0.6197 Remote Similarity NPD2859 Approved
0.6194 Remote Similarity NPD1759 Phase 1
0.6193 Remote Similarity NPD6072 Discontinued
0.619 Remote Similarity NPD4721 Approved
0.619 Remote Similarity NPD4726 Approved
0.619 Remote Similarity NPD4725 Approved
0.618 Remote Similarity NPD7737 Approved
0.618 Remote Similarity NPD7738 Approved
0.6178 Remote Similarity NPD1981 Approved
0.6178 Remote Similarity NPD1983 Approved
0.6178 Remote Similarity NPD1980 Approved
0.6176 Remote Similarity NPD6331 Phase 2
0.6169 Remote Similarity NPD7672 Approved
0.6169 Remote Similarity NPD7671 Approved
0.6168 Remote Similarity NPD4108 Discontinued
0.6149 Remote Similarity NPD1445 Approved
0.6149 Remote Similarity NPD1444 Approved
0.6145 Remote Similarity NPD2157 Approved
0.6145 Remote Similarity NPD1772 Clinical (unspecified phase)
0.6138 Remote Similarity NPD4760 Clinical (unspecified phase)
0.6136 Remote Similarity NPD6502 Phase 2
0.6129 Remote Similarity NPD1758 Phase 1
0.6127 Remote Similarity NPD2934 Approved
0.6127 Remote Similarity NPD2933 Approved
0.6125 Remote Similarity NPD5310 Approved
0.6125 Remote Similarity NPD5311 Approved
0.6122 Remote Similarity NPD9608 Approved
0.6122 Remote Similarity NPD9610 Approved
0.6118 Remote Similarity NPD7635 Approved
0.6117 Remote Similarity NPD8453 Clinical (unspecified phase)
0.6115 Remote Similarity NPD2668 Approved
0.6115 Remote Similarity NPD1751 Approved
0.6115 Remote Similarity NPD2667 Approved
0.6108 Remote Similarity NPD7493 Clinical (unspecified phase)
0.6101 Remote Similarity NPD2561 Approved
0.6101 Remote Similarity NPD2562 Approved
0.6087 Remote Similarity NPD1133 Approved
0.6087 Remote Similarity NPD1134 Approved
0.6087 Remote Similarity NPD1129 Approved
0.6087 Remote Similarity NPD3053 Approved
0.6087 Remote Similarity NPD1135 Approved
0.6087 Remote Similarity NPD3055 Approved
0.6087 Remote Similarity NPD1131 Approved
0.6082 Remote Similarity NPD5819 Phase 2
0.6076 Remote Similarity NPD2688 Clinical (unspecified phase)
0.6062 Remote Similarity NPD6582 Phase 2
0.6062 Remote Similarity NPD6583 Phase 3
0.6059 Remote Similarity NPD7037 Approved
0.6049 Remote Similarity NPD2194 Approved
0.6049 Remote Similarity NPD6584 Phase 3
0.6049 Remote Similarity NPD2195 Approved
0.6038 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6038 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6034 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6034 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6026 Remote Similarity NPD3021 Approved
0.6026 Remote Similarity NPD3022 Approved
0.6023 Remote Similarity NPD2211 Approved
0.6023 Remote Similarity NPD2209 Approved
0.6022 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6012 Remote Similarity NPD8148 Approved
0.6012 Remote Similarity NPD8147 Approved
0.6012 Remote Similarity NPD2422 Clinical (unspecified phase)
0.6011 Remote Similarity NPD3778 Approved
0.6011 Remote Similarity NPD2789 Approved
0.6011 Remote Similarity NPD3796 Clinical (unspecified phase)
0.601 Remote Similarity NPD8095 Phase 1
0.6 Remote Similarity NPD2028 Clinical (unspecified phase)
0.6 Remote Similarity NPD2230 Approved
0.6 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6 Remote Similarity NPD7303 Discontinued
0.6 Remote Similarity NPD2233 Approved
0.6 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6 Remote Similarity NPD3070 Discontinued
0.6 Remote Similarity NPD2232 Approved
0.5989 Remote Similarity NPD6523 Clinical (unspecified phase)
0.5988 Remote Similarity NPD6658 Clinical (unspecified phase)
0.5978 Remote Similarity NPD4010 Discontinued
0.5977 Remote Similarity NPD6682 Clinical (unspecified phase)
0.5972 Remote Similarity NPD1809 Phase 2
0.597 Remote Similarity NPD6991 Approved
0.5965 Remote Similarity NPD4256 Phase 2
0.5965 Remote Similarity NPD4257 Approved
0.5964 Remote Similarity NPD2674 Phase 3
0.5964 Remote Similarity NPD839 Approved
0.5964 Remote Similarity NPD840 Approved
0.5956 Remote Similarity NPD6746 Phase 2
0.5955 Remote Similarity NPD5617 Suspended
0.5952 Remote Similarity NPD5314 Approved
0.5952 Remote Similarity NPD4097 Suspended
0.5952 Remote Similarity NPD2568 Approved
0.5949 Remote Similarity NPD4235 Clinical (unspecified phase)
0.5944 Remote Similarity NPD845 Approved
0.5943 Remote Similarity NPD7447 Phase 1
0.5941 Remote Similarity NPD5405 Approved
0.5941 Remote Similarity NPD5406 Approved
0.5941 Remote Similarity NPD1632 Clinical (unspecified phase)
0.5941 Remote Similarity NPD5408 Approved
0.5941 Remote Similarity NPD5404 Approved
0.5939 Remote Similarity NPD1024 Discontinued
0.5935 Remote Similarity NPD1793 Approved
0.5935 Remote Similarity NPD1791 Approved
0.5928 Remote Similarity NPD3062 Approved
0.5928 Remote Similarity NPD1555 Discontinued
0.5928 Remote Similarity NPD3059 Approved
0.5928 Remote Similarity NPD3061 Approved
0.5921 Remote Similarity NPD9380 Clinical (unspecified phase)
0.5916 Remote Similarity NPD3337 Discontinued
0.5915 Remote Similarity NPD1712 Approved
0.5915 Remote Similarity NPD4208 Discontinued
0.5912 Remote Similarity NPD5599 Discontinued
0.5912 Remote Similarity NPD2296 Approved
0.5912 Remote Similarity NPD7494 Clinical (unspecified phase)
0.5909 Remote Similarity NPD5261 Clinical (unspecified phase)
0.5909 Remote Similarity NPD9377 Approved
0.5909 Remote Similarity NPD9379 Approved
0.5906 Remote Similarity NPD179 Clinical (unspecified phase)
0.5906 Remote Similarity NPD7030 Discontinued
0.5904 Remote Similarity NPD6159 Phase 2
0.5903 Remote Similarity NPD1432 Clinical (unspecified phase)
0.5892 Remote Similarity NPD6747 Phase 1
0.5889 Remote Similarity NPD7945 Clinical (unspecified phase)
0.5889 Remote Similarity NPD4433 Discontinued
0.5886 Remote Similarity NPD7213 Phase 3
0.5886 Remote Similarity NPD6087 Phase 1
0.5886 Remote Similarity NPD7598 Phase 2
0.5886 Remote Similarity NPD7212 Phase 2

Structure

External Identifiers

PubChem CID   15282555
ChEMBL   CHEMBL505637
ZINC  

Physicochemical Properties

Molecular Weight:  937.88
ALogP:  1.2626
MLogP:  3.44
XLogP:  6.578
# Rotatable Bonds:  25
Polar Surface Area:  211.28
# H-Bond Aceptor:  4
# H-Bond Donor:  8
# Rings:  4
# Heavy Atoms:  50

Download Data

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