Natural Product: NPC98329

Natural Product ID:  NPC98329
Common Name:   Isoguvacine Hydrochloride
IUPAC Name:   1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrochloride
Synonyms:   Isoguvacine HCl
Molecular Formula:   C6H9NO2.ClH
Standard InCHIKey:  SUWREQRNTXCCBL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H9NO2.ClH/c8-6(9)5-1-3-7-4-2-5;/h1,7H,2-4H2,(H,8,9);1H
Canonical SMILES:  OC(=O)C1=CCNCC1.Cl
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
NPO30939 Semen arecae NA NA NA HerDing*
NPO3912 Areca catechu Species Arecaceae Eukaryota HerDing*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 6309.6 nM PubChem BioAssay data set
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 3.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23099.9 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 113.46 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 103.48 % 23571415

  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 NPC98329 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 NPC7392
0.8906 High Similarity NPC133758
0.8906 High Similarity NPC4668
0.7879 Intermediate Similarity NPC305973
0.7681 Intermediate Similarity NPC112312
0.7639 Intermediate Similarity NPC133700
0.7108 Intermediate Similarity NPC202056
0.7013 Intermediate Similarity NPC122471
0.6761 Remote Similarity NPC14437
0.6761 Remote Similarity NPC270412
0.6575 Remote Similarity NPC66789
0.6351 Remote Similarity NPC50047
0.6154 Remote Similarity NPC87137
0.6154 Remote Similarity NPC90782
0.6044 Remote Similarity NPC236322
0.5974 Remote Similarity NPC314221
0.5974 Remote Similarity NPC60424
0.597 Remote Similarity NPC137419
0.597 Remote Similarity NPC122212
0.5851 Remote Similarity NPC313265
0.5843 Remote Similarity NPC296589
0.5747 Remote Similarity NPC226982
0.5747 Remote Similarity NPC277341
0.5658 Remote Similarity NPC273614
0.5652 Remote Similarity NPC221467
0.5645 Remote Similarity NPC18188

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC98329 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
1.0 High Similarity NPD9137 Approved
0.6761 Remote Similarity NPD9418 Clinical (unspecified phase)
0.6232 Remote Similarity NPD8971 Approved
0.5692 Remote Similarity NPD9411 Phase 1
0.5645 Remote Similarity NPD8623 Phase 1

Structure

External Identifiers

PubChem CID   155107;60209185
ChEMBL   CHEMBL540303
ZINC  

Physicochemical Properties

Molecular Weight:  127.06
ALogP:  -0.1092
MLogP:  1.79
XLogP:  -0.388
# Rotatable Bonds:  2
Polar Surface Area:  49.33
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  9

Download Data

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Similar NPs/Drugs