NPASS Natural Product

Natural Product: NPC278821

Natural Product ID:	NPC278821
Common Name:	Thiazolidine
IUPAC Name:	1,3-thiazolidine
Synonyms:	Thiazolidine
Molecular Formula:	C3H7NS
Standard InCHIKey:	OGYGFUAIIOPWQD-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2
Canonical SMILES:	C1NCCS1
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO3083	Ferula assafoetida	Species	Apiaceae	Eukaryota	TM-MC*
NPO3780	Ferula fukanensis	Species	Apiaceae	Eukaryota	TM-MC*
NPO3412	Ferula sinkiangensis	Species	Apiaceae	Eukaryota	TM-MC*

Biological Activity

Activity Type	# Activity
Ki	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1006	Individual Protein	Proton-coupled amino acid transporter 1	Homo sapiens	Ki	=	44000000	nM	21955456

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 NPC278821 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	26568
0.1-0.2	3719
0.2-0.3	459
0.3-0.4	103
0.4-0.5	34
0.5-0.6	5
0.6-0.7	1
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.6552	Remote Similarity	NPC326253
0.5882	Remote Similarity	NPC232311

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC278821 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	4677
0.1-0.2	3907
0.2-0.3	448
0.3-0.4	99
0.4-0.5	25
0.5-0.6	3
0.6-0.7	2
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.6552	Remote Similarity	NPD7382	Approved
0.6552	Remote Similarity	NPD7381	Approved

Structure

External Identifiers

PubChem CID	10444
ChEMBL	CHEMBL1916078
ZINC

Physicochemical Properties

Molecular Weight:	89.03
ALogP:	0.1989
MLogP:	1.57
XLogP:	0.227
# Rotatable Bonds:	0
Polar Surface Area:	37.33
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	1
# Heavy Atoms:	5

Download Data

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