ID: ALA1374360

Max Phase: Unknown

Molecular Formula: Cl2Hg

Molecular Weight: 271.50

Molecule Type: Small molecule

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: Yes

Availability: No

Prodrug: No

Properties

Molecular Weight: 271.50

Molecular Weight (Monoisotopic): 271.9083

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. PubChem BioAssay data set, 

2. Greene N, Fisk L, Naven RT, Note RR, Patel ML, Pelletier DJ..  (2010)  Developing structure-activity relationships for the prediction of hepatotoxicity.,  23  (7): [PMID:20553011] [10.1021/tx1000865]

3. PubChem BioAssay data set, 

4. Bröer S, Bröer A, Schneider HP, Stegen C, Halestrap AP, Deitmer JW..  (1999)  Characterization of the high-affinity monocarboxylate transporter MCT2 in Xenopus laevis oocytes.,  341  (1): [PMID:10417314] [10.1042/0264-6021:3410529]

5. PubChem BioAssay data set, 

6. Basoglu S, Demirbas A, Ulker S, Alpay-Karaoglu S, Demirbas N..  (2013)  Design, synthesis and biological activities of some 7-aminocephalosporanic acid derivatives.,  69  [PMID:24095755] [10.1016/j.ejmech.2013.07.040]

7. Unpublished dataset, 

8. PubChem BioAssay data set, 

9. PubChem BioAssay data set, 

10. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, 

11. WHO Anatomical Therapeutic Chemical Classification, 

12. DrugMatrix,  [10.6019/CHEMBL3885881]

Source

Source(7):

• Scientific Literature
• PubChem BioAssays
• USP Dictionary of USAN and International Drug Names
• DrugMatrix
• TP-search Transporter Database
• Gene Expression Atlas Compounds
• WHO Anatomical Therapeutic Chemical Classification