Arsenic

ID: ALA1231052

Chembl Id: CHEMBL1231052

Cas Number: 7440-38-2

PubChem CID: 5359596

Product Number: A433450

Max Phase: Approved

Molecular Formula: H3As

Molecular Weight: 77.95

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Synonyms: Arsenic | 7440-38-2|Arsenic|As|Agent SA|Arsenowodor|Arsen|Arsenic hydride (AsH3)|ARSENIC METAL|V1I29R0RJQ|Arsenicals|CHEBI:27563|Arsenic-75|Gray arsenic|Colloidal arsenic|Arsenic, inorganic|Arsenicals; Arsenic, inorganic; Arsen|CCRIS 55|Arsenic 75|HSDB 509|HSDB 510|EINECS 231-148-6|EINECS 232-066-3|UN2188|Arsenic Standard: As @ 1000 microg/mL in 5% HNO3|UNII-V1I29R0RJQ|Arsenic Standard: As @ 10000 microg/mL in 5% HNO3|arsenico|arsenicum|Arsenic AA Standard: As @ 1000 microg/mL in 5% HNO3|ArsinidShow More

Canonical SMILES:  [AsH3]

Standard InChI:  InChI=1S/AsH3/h1H3

Standard InChI Key:  RBFQJDQYXXHULB-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA1231052

    ARSENIC

Associated Targets(non-human)

Abcb1a P-glycoprotein 1 and 3 (MDR1a/MDR1b) (23 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: YesAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 77.95Molecular Weight (Monoisotopic): 77.9451AlogP: #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 Unpublished dataset, 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 Unpublished dataset, 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,