ID: ALA1231052

Max Phase: Approved

Molecular Formula: H3As

Molecular Weight: 77.95

Molecule Type: Small molecule

Representations

Synonyms (1): Arsenic
Synonyms from Alternative Forms(1):

Canonical SMILES:  [AsH3]

Standard InChI:  InChI=1S/AsH3/h1H3

Standard InChI Key:  RBFQJDQYXXHULB-UHFFFAOYSA-N

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: 77.95

Molecular Weight (Monoisotopic): 77.9451

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. Liu J, Liu Y, Powell DA, Waalkes MP, Klaassen CD..  (2002)  Multidrug-resistance mdr1a/1b double knockout mice are more sensitive than wild type mice to acute arsenic toxicity, with higher arsenic accumulation in tissues.,  170  (1): [PMID:11750083] [10.1016/s0300-483x(01)00532-7]

2. Unpublished dataset, 

3. Unpublished dataset, 

4. Biour M, Ben Salem C, Chazouillères O, Grangé JD, Serfaty L, Poupon R..  (2004)  [Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].,  28  (8-9): [PMID:15646539] [10.1016/s0399-8320(04)95062-2]

5. British National Formulary (72nd edition), 

6. Unpublished dataset, 

Source

Source(5):

• Scientific Literature
• Clinical Candidates
• TP-search Transporter Database
• Gene Expression Atlas Compounds
• British National Formulary