Natural Product: NPC105297

Natural Product ID:  NPC105297
Common Name:   Tenacibactin B
IUPAC Name:   4-[5-[hydroxy(3-methylbutanoyl)amino]pentylamino]-4-oxobutanoic acid
Synonyms:  
Molecular Formula:   C14H26N2O5
Standard InCHIKey:  BMWAAYSPJQJFIA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H26N2O5/c1-11(2)10-13(18)16(21)9-5-3-4-8-15-12(17)6-7-14(19)20/h11,21H,3-10H2,1-2H3,(H,15,17)(H,19,20)
Canonical SMILES:  OC(=NCCCCCN(C(=O)CC(C)C)O)CCC(=O)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
NPO32917 tenacibaculum sp. a4k-17 Species Flavobacteriaceae Bacteria PMID[17319723]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified ED50 > 1 nM 10.6019/CHEMBL1201861

  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 NPC105297 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
0.9661 High Similarity NPC128559
0.9194 High Similarity NPC306696
0.8065 Intermediate Similarity NPC263207
0.803 Intermediate Similarity NPC250953
0.7903 Intermediate Similarity NPC292299
0.7903 Intermediate Similarity NPC34838
0.7576 Intermediate Similarity NPC262615
0.7049 Intermediate Similarity NPC471131
0.65 Remote Similarity NPC53858
0.65 Remote Similarity NPC84128
0.6486 Remote Similarity NPC76297
0.6486 Remote Similarity NPC214532
0.6486 Remote Similarity NPC196007
0.6324 Remote Similarity NPC316826
0.6324 Remote Similarity NPC321468
0.6324 Remote Similarity NPC327748
0.6324 Remote Similarity NPC317143
0.6316 Remote Similarity NPC266888
0.6316 Remote Similarity NPC256312
0.6316 Remote Similarity NPC209156
0.6316 Remote Similarity NPC161774
0.6308 Remote Similarity NPC316889
0.6308 Remote Similarity NPC321118
0.6269 Remote Similarity NPC318260
0.6269 Remote Similarity NPC317147
0.625 Remote Similarity NPC322946
0.625 Remote Similarity NPC470108
0.6232 Remote Similarity NPC327170
0.6232 Remote Similarity NPC329564
0.6197 Remote Similarity NPC57420
0.6167 Remote Similarity NPC43264
0.6164 Remote Similarity NPC470109
0.6098 Remote Similarity NPC246005
0.6081 Remote Similarity NPC470110
0.6076 Remote Similarity NPC59867
0.6056 Remote Similarity NPC327252
0.5976 Remote Similarity NPC470783
0.5938 Remote Similarity NPC328378
0.5926 Remote Similarity NPC31756
0.5926 Remote Similarity NPC312315
0.5909 Remote Similarity NPC475801
0.5909 Remote Similarity NPC474593
0.5904 Remote Similarity NPC184473
0.5904 Remote Similarity NPC6902
0.5857 Remote Similarity NPC254541
0.5854 Remote Similarity NPC476243
0.5854 Remote Similarity NPC476156
0.5854 Remote Similarity NPC476117
0.5854 Remote Similarity NPC476137
0.5843 Remote Similarity NPC474576
0.5823 Remote Similarity NPC327272
0.5811 Remote Similarity NPC84182
0.5811 Remote Similarity NPC128005
0.5783 Remote Similarity NPC475542
0.5783 Remote Similarity NPC23984
0.5783 Remote Similarity NPC476302
0.5781 Remote Similarity NPC227850
0.5778 Remote Similarity NPC471098
0.5778 Remote Similarity NPC62263
0.5778 Remote Similarity NPC173763
0.5775 Remote Similarity NPC471129
0.5769 Remote Similarity NPC315897
0.5765 Remote Similarity NPC472351
0.5763 Remote Similarity NPC327250
0.5745 Remote Similarity NPC475440
0.5735 Remote Similarity NPC327831
0.5735 Remote Similarity NPC322573
0.5714 Remote Similarity NPC478256
0.5714 Remote Similarity NPC176164
0.5714 Remote Similarity NPC328447
0.5714 Remote Similarity NPC189301
0.5714 Remote Similarity NPC284456
0.5692 Remote Similarity NPC80350
0.5692 Remote Similarity NPC21142
0.5679 Remote Similarity NPC472594
0.5667 Remote Similarity NPC477538
0.5647 Remote Similarity NPC235078
0.5634 Remote Similarity NPC321536
0.5634 Remote Similarity NPC320598
0.5625 Remote Similarity NPC472595

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC105297 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
0.7576 Intermediate Similarity NPD6438 Approved
0.7576 Intermediate Similarity NPD6437 Approved
0.6795 Remote Similarity NPD612 Discontinued
0.6438 Remote Similarity NPD620 Approved
0.6389 Remote Similarity NPD2263 Discontinued
0.6333 Remote Similarity NPD9658 Clinical (unspecified phase)
0.625 Remote Similarity NPD9441 Phase 2
0.6216 Remote Similarity NPD3724 Clinical (unspecified phase)
0.619 Remote Similarity NPD7759 Phase 2
0.619 Remote Similarity NPD3723 Clinical (unspecified phase)
0.619 Remote Similarity NPD7760 Phase 2
0.6143 Remote Similarity NPD574 Approved
0.6136 Remote Similarity NPD6699 Clinical (unspecified phase)
0.6098 Remote Similarity NPD1125 Discovery
0.6056 Remote Similarity NPD575 Clinical (unspecified phase)
0.6029 Remote Similarity NPD9425 Approved
0.5976 Remote Similarity NPD7763 Phase 2
0.5976 Remote Similarity NPD7762 Phase 2
0.5952 Remote Similarity NPD3733 Clinical (unspecified phase)
0.593 Remote Similarity NPD3176 Clinical (unspecified phase)
0.5926 Remote Similarity NPD4815 Discontinued
0.5904 Remote Similarity NPD2683 Discontinued
0.5882 Remote Similarity NPD1456 Approved
0.5867 Remote Similarity NPD322 Phase 1
0.5833 Remote Similarity NPD4829 Discontinued
0.5833 Remote Similarity NPD9625 Approved
0.5783 Remote Similarity NPD3628 Phase 3
0.5769 Remote Similarity NPD1825 Clinical (unspecified phase)
0.5735 Remote Similarity NPD1830 Clinical (unspecified phase)
0.5733 Remote Similarity NPD1429 Clinical (unspecified phase)
0.5714 Remote Similarity NPD9661 Approved
0.5714 Remote Similarity NPD9433 Approved
0.5696 Remote Similarity NPD366 Approved
0.5692 Remote Similarity NPD9200 Approved
0.5679 Remote Similarity NPD2689 Clinical (unspecified phase)
0.5667 Remote Similarity NPD4261 Phase 1
0.5638 Remote Similarity NPD8038 Phase 2

Structure

External Identifiers

PubChem CID   16216155
ChEMBL   CHEMBL387663
ZINC  

Physicochemical Properties

Molecular Weight:  302.18
ALogP:  -1.8042
MLogP:  2.23
XLogP:  0.858
# Rotatable Bonds:  17
Polar Surface Area:  110.43
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  21

Download Data

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Structure MOL file  
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Similar NPs/Drugs