ID: ALA2074842

Max Phase: Preclinical

Molecular Formula: C5H12Hg2O3S3

Molecular Weight: 617.53

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: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 617.53

Molecular Weight (Monoisotopic): 619.9361

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. Koh AS, Simmons-Willis TA, Pritchard JB, Grassl SM, Ballatori N..  (2002)  Identification of a mechanism by which the methylmercury antidotes N-acetylcysteine and dimercaptopropanesulfonate enhance urinary metal excretion: transport by the renal organic anion transporter-1.,  62  (1): [PMID:12237339] [10.1124/mol.62.4.921]

Source

Source(1):

• TP-search Transporter Database