Natural Product: NPC34193

Natural Product ID:  NPC34193
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C26H39NO3
Standard InCHIKey:  ACOQUBGHQYPJFN-NZZVAQPWSA-N
Standard InCHI:  InChI=1S/C26H39NO3/c1-16(2)11-13-27-20-14-21(28)24(30)19(23(20)29)15-26(6)18(4)10-12-25(5)17(3)8-7-9-22(25)26/h8,14,16,18,22,27,30H,7,9-13,15H2,1-6H3/t18-,22+,25-,26+/m0/s1
Canonical SMILES:  CC(CCNC1=CC(=O)C(=C(C1=O)C[C@]1(C)[C@@H](C)CC[C@@]2([C@H]1CCC=C2C)C)O)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
NPO13603 Dactylospongia metachromia Species Thorectidae Eukaryota PMID[24479418]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT36 Individual Protein Tyrosine-protein kinase SRC Homo sapiens IC50 = 2200 nM 23398362
NPT1478 Individual Protein Vascular endothelial growth factor receptor 2 Homo sapiens IC50 = 2220 nM 23398362
NPT728 Individual Protein Serine/threonine-protein kinase AKT Homo sapiens IC50 = 73200 nM 20521771
NPT1864 Cell Line L5178Y Mus musculus IC50 = 1300 nM 22642560
NPT1660 Individual Protein NUAK family SNF1-like kinase 1 Homo sapiens IC50 > 100000 nM 17067151
NPT1661 Individual Protein ALK tyrosine kinase receptor Homo sapiens IC50 = 970 nM 17067151
NPT1433 Individual Protein Serine/threonine-protein kinase Aurora-B Homo sapiens IC50 = 61000 nM 10843574
NPT1438 Individual Protein Insulin-like growth factor I receptor Homo sapiens IC50 = 1940 nM 19307369
NPT1436 Individual Protein Focal adhesion kinase 1 Homo sapiens IC50 = 3030 nM 19307369
NPT1659 Individual Protein Tyrosine-protein kinase receptor UFO Homo sapiens IC50 > 100000 nM 19307369
NPT491 Individual Protein Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens IC50 > 100000 nM 15943486
NPT1337 Individual Protein Hepatocyte growth factor receptor Homo sapiens IC50 = 40300 nM 15943486
NPT1658 Individual Protein Serine/threonine-protein kinase NEK2 Homo sapiens IC50 = 29900 nM 15943486
NPT1657 Individual Protein Serine/threonine-protein kinase NEK6 Homo sapiens IC50 = 90800 nM 15658855
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens IC50 = 100000 nM 20585133
NPT1265 Individual Protein Serine/threonine-protein kinase PIM1 Homo sapiens IC50 = 62600 nM 19487444
NPT1656 Individual Protein Protein kinase N1 Homo sapiens IC50 > 100000 nM 19487444

  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 NPC34193 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
0.9208 High Similarity NPC72688
0.92 High Similarity NPC24596
0.9 High Similarity NPC185929
0.8857 High Similarity NPC176336
0.8037 Intermediate Similarity NPC175585
0.7881 Intermediate Similarity NPC119326
0.77 Intermediate Similarity NPC236322
0.7431 Intermediate Similarity NPC230677
0.734 Intermediate Similarity NPC1254
0.7339 Intermediate Similarity NPC469958
0.7308 Intermediate Similarity NPC476754
0.7264 Intermediate Similarity NPC184033
0.7212 Intermediate Similarity NPC476753
0.7212 Intermediate Similarity NPC476752
0.7113 Intermediate Similarity NPC27817
0.7064 Intermediate Similarity NPC474001
0.7041 Intermediate Similarity NPC108955
0.7 Intermediate Similarity NPC21667
0.7 Intermediate Similarity NPC152718
0.7 Intermediate Similarity NPC58200
0.7 Intermediate Similarity NPC226509
0.699 Remote Similarity NPC116231
0.697 Remote Similarity NPC55869
0.697 Remote Similarity NPC99308
0.6869 Remote Similarity NPC287063
0.6863 Remote Similarity NPC311769
0.6863 Remote Similarity NPC182106
0.6814 Remote Similarity NPC476328
0.6804 Remote Similarity NPC110725
0.68 Remote Similarity NPC475863
0.68 Remote Similarity NPC470034
0.6796 Remote Similarity NPC472161
0.6788 Remote Similarity NPC2672
0.6699 Remote Similarity NPC33881
0.6699 Remote Similarity NPC132228
0.6699 Remote Similarity NPC8518
0.6699 Remote Similarity NPC263997
0.6696 Remote Similarity NPC476276
0.6667 Remote Similarity NPC189485
0.6667 Remote Similarity NPC53733
0.6667 Remote Similarity NPC259252
0.6634 Remote Similarity NPC225515
0.6633 Remote Similarity NPC92080
0.6612 Remote Similarity NPC474006
0.6596 Remote Similarity NPC260474
0.6596 Remote Similarity NPC188292
0.6587 Remote Similarity NPC317654
0.6587 Remote Similarity NPC96010
0.6574 Remote Similarity NPC247316
0.6569 Remote Similarity NPC103486
0.6538 Remote Similarity NPC241512
0.6538 Remote Similarity NPC6185
0.6505 Remote Similarity NPC105803
0.65 Remote Similarity NPC30321
0.6491 Remote Similarity NPC98765
0.6471 Remote Similarity NPC474085
0.6471 Remote Similarity NPC475833
0.6465 Remote Similarity NPC112680
0.6465 Remote Similarity NPC292589
0.646 Remote Similarity NPC77703
0.6449 Remote Similarity NPC249312
0.6421 Remote Similarity NPC310992
0.6421 Remote Similarity NPC87141
0.641 Remote Similarity NPC476918
0.6408 Remote Similarity NPC142253
0.6408 Remote Similarity NPC3511
0.6389 Remote Similarity NPC473056
0.6381 Remote Similarity NPC255174
0.6381 Remote Similarity NPC469993
0.6381 Remote Similarity NPC474680
0.6381 Remote Similarity NPC33663
0.6379 Remote Similarity NPC476926
0.6379 Remote Similarity NPC233256
0.6379 Remote Similarity NPC195841
0.6373 Remote Similarity NPC2482
0.6364 Remote Similarity NPC23170
0.6354 Remote Similarity NPC474060
0.6354 Remote Similarity NPC256846
0.6339 Remote Similarity NPC472162
0.6339 Remote Similarity NPC474164
0.6333 Remote Similarity NPC124358
0.6327 Remote Similarity NPC474228
0.6327 Remote Similarity NPC470044
0.6327 Remote Similarity NPC470045
0.6327 Remote Similarity NPC303613
0.6321 Remote Similarity NPC472136
0.6311 Remote Similarity NPC116797
0.6311 Remote Similarity NPC278459
0.6306 Remote Similarity NPC147232
0.63 Remote Similarity NPC26504
0.6296 Remote Similarity NPC112454
0.6296 Remote Similarity NPC68148
0.6296 Remote Similarity NPC65615
0.6289 Remote Similarity NPC265782
0.6289 Remote Similarity NPC251929
0.6289 Remote Similarity NPC2634
0.6286 Remote Similarity NPC87552
0.6283 Remote Similarity NPC140685
0.6277 Remote Similarity NPC251118
0.6273 Remote Similarity NPC263780
0.6271 Remote Similarity NPC220730
0.6261 Remote Similarity NPC176012
0.625 Remote Similarity NPC472867
0.625 Remote Similarity NPC472239
0.625 Remote Similarity NPC247220
0.6228 Remote Similarity NPC477964
0.6226 Remote Similarity NPC474537
0.6226 Remote Similarity NPC133652
0.6226 Remote Similarity NPC32037
0.6226 Remote Similarity NPC8571
0.6226 Remote Similarity NPC76283
0.6224 Remote Similarity NPC190035
0.6224 Remote Similarity NPC54123
0.6218 Remote Similarity NPC472192
0.6218 Remote Similarity NPC274895
0.6214 Remote Similarity NPC250632
0.6214 Remote Similarity NPC18955
0.6214 Remote Similarity NPC476809
0.6202 Remote Similarity NPC473249
0.62 Remote Similarity NPC175079
0.62 Remote Similarity NPC476346
0.619 Remote Similarity NPC41539
0.619 Remote Similarity NPC168188
0.619 Remote Similarity NPC470015
0.6186 Remote Similarity NPC139397
0.6186 Remote Similarity NPC476756
0.6186 Remote Similarity NPC244982
0.6182 Remote Similarity NPC470036
0.6182 Remote Similarity NPC174167
0.6176 Remote Similarity NPC476808
0.6176 Remote Similarity NPC275494
0.6176 Remote Similarity NPC471409
0.6176 Remote Similarity NPC74410
0.6168 Remote Similarity NPC222613
0.6168 Remote Similarity NPC94666
0.6168 Remote Similarity NPC118648
0.6168 Remote Similarity NPC475022
0.6162 Remote Similarity NPC109576
0.6162 Remote Similarity NPC130016
0.6162 Remote Similarity NPC180015
0.6162 Remote Similarity NPC56747
0.6162 Remote Similarity NPC251705
0.616 Remote Similarity NPC35037
0.6154 Remote Similarity NPC471898
0.6154 Remote Similarity NPC189237
0.6154 Remote Similarity NPC478136
0.6154 Remote Similarity NPC473217
0.6154 Remote Similarity NPC44963
0.6154 Remote Similarity NPC472684
0.6154 Remote Similarity NPC121984
0.6139 Remote Similarity NPC180886
0.6139 Remote Similarity NPC470525
0.6139 Remote Similarity NPC69408
0.6132 Remote Similarity NPC144258
0.6132 Remote Similarity NPC237712
0.6132 Remote Similarity NPC473246
0.6129 Remote Similarity NPC477121
0.6126 Remote Similarity NPC211230
0.6122 Remote Similarity NPC159577
0.6122 Remote Similarity NPC260040
0.6122 Remote Similarity NPC35734
0.6122 Remote Similarity NPC282593
0.6122 Remote Similarity NPC307176
0.6117 Remote Similarity NPC90965
0.6117 Remote Similarity NPC192329
0.6117 Remote Similarity NPC472490
0.6117 Remote Similarity NPC170793
0.6111 Remote Similarity NPC470523
0.61 Remote Similarity NPC255021
0.61 Remote Similarity NPC128346
0.61 Remote Similarity NPC147438
0.61 Remote Similarity NPC309852
0.61 Remote Similarity NPC219232
0.6095 Remote Similarity NPC320514
0.6095 Remote Similarity NPC260956
0.6091 Remote Similarity NPC474209
0.6091 Remote Similarity NPC475823
0.6091 Remote Similarity NPC84171
0.6082 Remote Similarity NPC155198
0.6078 Remote Similarity NPC165711
0.6075 Remote Similarity NPC311702
0.6075 Remote Similarity NPC472931
0.6075 Remote Similarity NPC469948
0.6075 Remote Similarity NPC11711
0.6075 Remote Similarity NPC29447
0.6075 Remote Similarity NPC472940
0.6075 Remote Similarity NPC94531
0.6075 Remote Similarity NPC123319
0.6071 Remote Similarity NPC474882
0.6071 Remote Similarity NPC474328
0.6068 Remote Similarity NPC474563
0.6064 Remote Similarity NPC288253
0.6061 Remote Similarity NPC225467
0.6061 Remote Similarity NPC234707
0.6061 Remote Similarity NPC305501
0.6061 Remote Similarity NPC115023
0.6058 Remote Similarity NPC12035
0.6058 Remote Similarity NPC472478
0.6058 Remote Similarity NPC26139
0.6055 Remote Similarity NPC58271

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC34193 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
0.7172 Intermediate Similarity NPD3527 Clinical (unspecified phase)
0.67 Remote Similarity NPD4695 Discontinued
0.6585 Remote Similarity NPD7739 Clinical (unspecified phase)
0.64 Remote Similarity NPD7623 Phase 3
0.64 Remote Similarity NPD7624 Clinical (unspecified phase)
0.6321 Remote Similarity NPD5690 Phase 2
0.6311 Remote Similarity NPD8028 Phase 2
0.6296 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6289 Remote Similarity NPD4691 Approved
0.6263 Remote Similarity NPD5733 Approved
0.624 Remote Similarity NPD7299 Clinical (unspecified phase)
0.6226 Remote Similarity NPD5329 Approved
0.6202 Remote Similarity NPD7747 Phase 1
0.6202 Remote Similarity NPD7746 Phase 1
0.6186 Remote Similarity NPD4137 Phase 3
0.6176 Remote Similarity NPD3617 Approved
0.6168 Remote Similarity NPD4694 Approved
0.6168 Remote Similarity NPD5280 Approved
0.6154 Remote Similarity NPD7812 Clinical (unspecified phase)
0.6132 Remote Similarity NPD4197 Approved
0.6122 Remote Similarity NPD4747 Approved
0.61 Remote Similarity NPD4687 Approved
0.61 Remote Similarity NPD4058 Approved
0.6061 Remote Similarity NPD5276 Approved
0.6019 Remote Similarity NPD5279 Phase 3
0.5965 Remote Similarity NPD7614 Phase 1
0.5948 Remote Similarity NPD6404 Discontinued
0.5946 Remote Similarity NPD4096 Approved
0.5943 Remote Similarity NPD4223 Phase 3
0.5943 Remote Similarity NPD4221 Approved
0.5938 Remote Similarity NPD6908 Approved
0.5938 Remote Similarity NPD6909 Approved
0.5929 Remote Similarity NPD5769 Clinical (unspecified phase)
0.5896 Remote Similarity NPD7260 Phase 2
0.5856 Remote Similarity NPD4753 Phase 2
0.5852 Remote Similarity NPD6845 Suspended
0.5833 Remote Similarity NPD3666 Approved
0.5833 Remote Similarity NPD7333 Discontinued
0.5833 Remote Similarity NPD3665 Phase 1
0.5833 Remote Similarity NPD3133 Approved
0.5833 Remote Similarity NPD4786 Approved
0.5794 Remote Similarity NPD3667 Approved
0.5758 Remote Similarity NPD3621 Clinical (unspecified phase)
0.5755 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5752 Remote Similarity NPD6079 Approved
0.5739 Remote Similarity NPD5695 Phase 3
0.5739 Remote Similarity NPD4629 Approved
0.5739 Remote Similarity NPD5210 Approved
0.5727 Remote Similarity NPD4690 Approved
0.5727 Remote Similarity NPD5205 Approved
0.5727 Remote Similarity NPD4688 Approved
0.5727 Remote Similarity NPD4623 Approved
0.5727 Remote Similarity NPD4693 Phase 3
0.5727 Remote Similarity NPD4138 Approved
0.5727 Remote Similarity NPD4519 Discontinued
0.5727 Remote Similarity NPD3618 Phase 1
0.5727 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5727 Remote Similarity NPD4689 Approved
0.5726 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5328 Approved
0.5704 Remote Similarity NPD6914 Discontinued
0.5702 Remote Similarity NPD5133 Approved
0.569 Remote Similarity NPD5220 Clinical (unspecified phase)
0.569 Remote Similarity NPD5349 Clinical (unspecified phase)
0.569 Remote Similarity NPD5222 Approved
0.569 Remote Similarity NPD5221 Approved
0.5657 Remote Similarity NPD3709 Clinical (unspecified phase)
0.5641 Remote Similarity NPD6083 Phase 2
0.5641 Remote Similarity NPD6084 Phase 2
0.5641 Remote Similarity NPD5173 Approved
0.5625 Remote Similarity NPD5737 Approved
0.5625 Remote Similarity NPD6672 Approved
0.5614 Remote Similarity NPD7515 Phase 2
0.5614 Remote Similarity NPD5281 Approved
0.5614 Remote Similarity NPD5284 Approved
0.5614 Remote Similarity NPD6050 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3109401
ZINC  

Physicochemical Properties

Molecular Weight:  413.29
ALogP:  1.7184
MLogP:  3.88
XLogP:  8.349
# Rotatable Bonds:  13
Polar Surface Area:  66.4
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  30

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs