NPASS Natural Product

Natural Product: NPC166294

Natural Product ID:	NPC166294
Common Name:	N,N-Dimethylacetamide
IUPAC Name:	N,N-dimethylacetamide
Synonyms:	N,N-Dimethyl-Acetamide
Molecular Formula:	C4H9NO
Standard InCHIKey:	FXHOOIRPVKKKFG-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
Canonical SMILES:	CC(=O)N(C)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
NPO1797	Homo sapiens	Species	Hominidae	Eukaryota				PMID[25518943]
NPO1515	Lonicera japonica	Species	Caprifoliaceae	Eukaryota				TM-MC*

Biological Activity

Activity Type	# Activity
Potency	7

Activity Type	# Activity
Others	7

Target ID	Target Type	Target Name	Activity Type	Value	Unit	Reference
NPT2	Others	Unspecified	Potency	49447.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	Potency	691.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	Potency	198.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	Potency	68589.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	Potency	4897.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	Potency	62800.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	Potency	55481.5	nM	PubChem BioAssay data set

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 NPC166294 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	12064
0.1-0.2	16478
0.2-0.3	1707
0.3-0.4	552
0.4-0.5	72
0.5-0.6	10
0.6-0.7	6
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
0.6667	Remote Similarity	NPC326044
0.6571	Remote Similarity	NPC234196
0.625	Remote Similarity	NPC59650
0.6053	Remote Similarity	NPC141914
0.6	Remote Similarity	NPC66757
0.6	Remote Similarity	NPC290188
0.5806	Remote Similarity	NPC136014

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC166294 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	1949
0.1-0.2	6087
0.2-0.3	759
0.3-0.4	249
0.4-0.5	91
0.5-0.6	22
0.6-0.7	4
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
0.625	Remote Similarity	NPD8795	Approved
0.625	Remote Similarity	NPD8796	Approved
0.625	Remote Similarity	NPD8816	Approved
0.625	Remote Similarity	NPD8799	Approved
0.5882	Remote Similarity	NPD8800	Approved
0.5806	Remote Similarity	NPD9262	Approved
0.5806	Remote Similarity	NPD8817	Phase 3
0.5806	Remote Similarity	NPD8818	Approved
0.5806	Remote Similarity	NPD8819	Approved
0.5806	Remote Similarity	NPD8821	Approved
0.5806	Remote Similarity	NPD110	Approved
0.5806	Remote Similarity	NPD8820	Approved
0.5625	Remote Similarity	NPD9057	Approved
0.5625	Remote Similarity	NPD9058	Approved

Structure

External Identifiers

PubChem CID	31374
ChEMBL	CHEMBL11873
ZINC

Physicochemical Properties

Molecular Weight:	87.07
ALogP:	-0.4203
MLogP:	1.68
XLogP:	-0.148
# Rotatable Bonds:	4
Polar Surface Area:	20.31
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	0
# Heavy Atoms:	6

Download Data

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General Info & Identifiers & Properties
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Biological Activities
Similar NPs/Drugs