Natural Product: NPC100002

Natural Product ID:  NPC100002
Common Name:   Dibromomethane
IUPAC Name:   dibromomethane
Synonyms:  
Molecular Formula:   CH2Br2
Standard InCHIKey:  FJBFPHVGVWTDIP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/CH2Br2/c2-1-3/h1H2
Canonical SMILES:  BrCBr
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
NPO16800 Pulicaria dysenterica Species Asteraceae Eukaryota UNPD*
NPO17890 Platycarphella carlinoides Species Asteraceae Eukaryota UNPD*
NPO13323 Uncaria quadrangularis Species Rubiaceae Eukaryota UNPD*
NPO14808 Ainsliaea dissecta Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 12680 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 56639.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28.1 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 NPC100002 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 NPC78825
0.625 Remote Similarity NPC119914

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC100002 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
NPD

Structure

External Identifiers

PubChem CID   3024
ChEMBL   CHEMBL1229889
ZINC  

Physicochemical Properties

Molecular Weight:  171.85
ALogP:  1.4959
MLogP:  1.35
XLogP:  2.195
# Rotatable Bonds:  2
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  3

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs