NPASS Natural Product

Natural Product: NPC328920

Natural Product ID:	NPC328920
Common Name:	Carbon Tetrachloride
IUPAC Name:	tetrachloromethane
Synonyms:	Carbon Tetrachloride
Molecular Formula:	CCl4
Standard InCHIKey:	VZGDMQKNWNREIO-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/CCl4/c2-1(3,4)5
Canonical SMILES:	ClC(Cl)(Cl)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
NPO1797	Homo sapiens	Species	Hominidae	Eukaryota	blood			National Health and Nutrition Examination Survey (NHANES Survey) 2013

Biological Activity

Activity Type	# Activity
IC50	1
Others	1
Potency	9

Activity Type	# Activity
Cell Line	1
Individual Protein	8
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT483	Individual Protein	Prelamin-A/C	Homo sapiens	Potency	=	1.4	nM	PubChem BioAssay data set
NPT210	Individual Protein	Thyroid stimulating hormone receptor	Homo sapiens	Potency	=	1258.9	nM	PubChem BioAssay data set
NPT94	Individual Protein	Aldehyde dehydrogenase 1A1	Homo sapiens	Potency	=	25118.9	nM	PubChem BioAssay data set
NPT150	Individual Protein	Anthrax lethal factor	Bacillus anthracis	Potency	=	398.1	nM	PubChem BioAssay data set
NPT65	Cell Line	HepG2	Homo sapiens	Inhibition	=	50	%	21459003
NPT106	Individual Protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency		50118.7	nM	PubChem BioAssay data set
NPT241	Individual Protein	Cytochrome P450 2E1	Homo sapiens	IC50	=	11000	nM	DrugMatrix in vitro pharmacology data
NPT158	Individual Protein	Nuclear receptor subfamily 1 group I member 2	Rattus norvegicus	Potency		70794.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		67405.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		213.2	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 NPC328920 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	30866
0.1-0.2	14
0.2-0.3	3
0.3-0.4	3
0.4-0.5	0
0.5-0.6	3
0.6-0.7	0
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
0.5714	Remote Similarity	NPC128350
0.5714	Remote Similarity	NPC328339

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC328920 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	9136
0.1-0.2	19
0.2-0.3	4
0.3-0.4	1
0.4-0.5	0
0.5-0.6	1
0.6-0.7	0
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
0.5714	Remote Similarity	NPD9772	Approved

Structure

External Identifiers

PubChem CID	5943
ChEMBL	CHEMBL44814
ZINC

Physicochemical Properties

Molecular Weight:	151.88
ALogP:	3.5846
MLogP:	1.13
XLogP:	2.864
# Rotatable Bonds:	4
Polar Surface Area:	0
# H-Bond Aceptor:	0
# H-Bond Donor:	0
# Rings:	0
# Heavy Atoms:	5

Download Data

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