Fluoride anion

ID: ALA1232767

Chembl Id: CHEMBL1232767

Cas Number: 7664-39-3

PubChem CID: 14917

Product Number: H291691

Max Phase: Phase

Molecular Formula: HF

Molecular Weight: 20.01

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Synonyms: Fluoride | HYDROFLUORIC ACID|Hydrogen fluoride|7664-39-3|Fluorhydric acid|fluorane|Hydrofluoride|Rubigine|Antisal 2B|Hydrofluoricum acidum|Fluorowodor|Fluorwaterstof|Fluorwasserstoff|Caswell No. 484|Acido fluoridrico|Hydrogen-fluoride|Acido fluorhidrico|Acide fluorhydrique|UN 1052 (anhydrous)|RCRA waste number U134|HSDB 546|CHEBI:29228|UNII-RGL5YE86CZ|RGL5YE86CZ|EINECS 231-634-8|Fluorure d'hydrogene anhydre|Hydrogen fluoride, anhydrous|Fluoruro de hidrogeno anhidro|EPA Pesticide Chemical Code 04Show More

Synonyms from Alternative Forms(1): F-18

Canonical SMILES:  F

Standard InChI:  InChI=1S/FH/h1H

Standard InChI Key:  KRHYYFGTRYWZRS-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA1232767

    FLUORIDE
  2. Alternative Forms:

    ALA1232767

    F-18

Associated Targets(Human)

CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA4 Tclin Carbonic anhydrase IV (2163 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA5B Tclin Carbonic anhydrase V (54 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA7 Tclin Carbonic anhydrase VII (2318 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA6 Tclin Carbonic anhydrase VI (993 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Carbonic anhydrase (197 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Carbonic anhydrase (69 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ca13 Carbonic anhydrase XIII (322 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA Alpha carbonic anhydrase (93 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA2 Carbonic anhydrase (56 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: 20.01Molecular Weight (Monoisotopic): 20.0062AlogP: 0.15#Rotatable Bonds:
Polar Surface Area: 0.00Molecular Species: ACIDHBA: HBD:
#RO5 Violations: HBA (Lipinski): HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: 3.17CX Basic pKa: CX LogP: 0.15CX LogD: 0.37
Aromatic Rings: Heavy Atoms: 1QED Weighted: 0.35Np Likeness Score: 0.00

References

1. Innocenti A, Zimmerman S, Ferry JG, Scozzafava A, Supuran CT..  (2004)  Carbonic anhydrase inhibitors. Inhibition of the beta-class enzyme from the methanoarchaeon Methanobacterium thermoautotrophicum (Cab) with anions.,  14  (17): [PMID:15357993] [10.1016/j.bmcl.2004.06.073]
2. Innocenti A, Lehtonen JM, Parkkila S, Scozzafava A, Supuran CT..  (2004)  Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions.,  14  (21): [PMID:15454240] [10.1016/j.bmcl.2004.07.086]
3. Innocenti A, Firnges MA, Antel J, Wurl M, Scozzafava A, Supuran CT..  (2004)  Carbonic anhydrase inhibitors: inhibition of the membrane-bound human isozyme IV with anions.,  14  (23): [PMID:15501038] [10.1016/j.bmcl.2004.09.063]
4. Vullo D, Ruusuvuori E, Kaila K, Scozzafava A, Supuran CT..  (2006)  Carbonic anhydrase inhibitors: inhibition of the cytosolic human isozyme VII with anions.,  16  (12): [PMID:16621537] [10.1016/j.bmcl.2006.03.078]
5. Bertucci A, Innocenti A, Scozzafava A, Tambutté S, Zoccola D, Supuran CT..  (2011)  Carbonic anhydrase inhibitors. Inhibition studies with anions and sulfonamides of a new cytosolic enzyme from the scleractinian coral Stylophora pistillata.,  21  (2): [PMID:21208801] [10.1016/j.bmcl.2010.11.124]
6. Luca VD, Vullo D, Scozzafava A, Carginale V, Rossi M, Supuran CT, Capasso C..  (2013)  An α-carbonic anhydrase from the thermophilic bacterium Sulphurihydrogenibium azorense is the fastest enzyme known for the CO2 hydration reaction.,  21  (6): [PMID:23078755] [10.1016/j.bmc.2012.09.047]
7. Cincinelli A, Martellini T, Vullo D, Supuran CT..  (2015)  Anion and sulfonamide inhibition studies of an α-carbonic anhydrase from the Antarctic hemoglobinless fish Chionodraco hamatus.,  25  (23): [PMID:26525863] [10.1016/j.bmcl.2015.10.074]
8. Vullo D, Del Prete S, De Luca V, Carginale V, Ferraroni M, Dedeoglu N, Osman SM, AlOthman Z, Capasso C, Supuran CT..  (2016)  Anion inhibition studies of the β-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae.,  26  (5): [PMID:26853167] [10.1016/j.bmcl.2016.01.072]
9. Del Prete S, Vullo D, De Luca V, Carginale V, di Fonzo P, Osman SM, AlOthman Z, Supuran CT, Capasso C..  (2016)  Anion inhibition profiles of α-, β- and γ-carbonic anhydrases from the pathogenic bacterium Vibrio cholerae.,  24  (16): [PMID:27283786] [10.1016/j.bmc.2016.05.029]
10. Unpublished dataset,