Abediterol

Highest phase reached
Drug type
Small molecule

Listing at source
Listed
Highest phase reached

Drug type
Small molecule
Drug name
Abediterol
Molecular weight
Structure (SMILES)
O=c1ccc2c([C@@H](O)CNCCCCCCOCC(F)(F)c3ccccc3)ccc(O)c2[nH]1

  • abediterol
  • Abediterol
  • Abediterol (2.4 μg)
  • Abediterol (2.5 μg)
  • Abediterol (4.8 μg)
  • abediterol [INN]
  • ABEDITEROL [USAN]
  • Abediterol [WHO-DD]
  • Abediterol 0.05 μg
  • Abediterol 0.156 μg
  • Abediterol 2.5 μg
  • abediterol inn
  • abediterol usan
  • abediterol who dd
  • las 100977
  • LAS-100977
  • las100977
  • LAS100977
  • LAS100977 0.313 μg
  • LAS100977 0.625 μg
  • LAS100977 1.25 μg
  • LAS100977 2.5 μg

CAS registry numbers
  • 915133-65-2
ChEMBL ID
CHEMBL3039530
InChIKey
SFYAXIFVXBKRPK-QFIPXVFZSA-N
PubChem compound IDs
  • 11962616
FDA ingredient codes (UNII)
  • QXA167CM6F

First in class
No
Orphan designation
No

Pharmacology name
abediterol
Type
Synthetic organic
Drug name stem
-terol

  • Action
    Agonist
    Action type
    Agonist
    Target
    β1-adrenoceptor
    Gene symbol
    ADRB1
    Protein identifier
    P08588
    Median affinity
    7.44
    Affinity units
    pIC50
  • Action
    Agonist
    Action type
    Agonist
    Target
    β3-adrenoceptor
    Gene symbol
    ADRB3
    Protein identifier
    P13945
    Median affinity
    5.52
    Affinity units
    pIC50
  • Mechanism
    Beta-2 adrenergic receptor agonist
    Action type
    Agonist
    Target
    Beta-2 adrenergic receptor
    Protein identifier
    P07550
  • Action
    Full agonist
    Action type
    FULL_AGONIST
    Target
    β2-adrenoceptor
    Gene symbol
    ADRB2
    Protein identifier
    P07550
    Median affinity
    9.22
    Affinity units
    pIC50
    Primary target
    Yes

Open Targets mechanisms

  • Mechanism
    Beta-2 adrenergic receptor agonist
    Action type
    Agonist
    Target
    Beta-2 adrenergic receptor

  • Condition
    Pulmonary Disease, Chronic Obstructive
    Highest recorded phase
    2
    Condition identifier
    EFO:0000341
    Subject identifier
    D029424
  • Condition
    Asthma
    Highest recorded phase
    2
    Condition identifier
    MONDO:0004979
    Subject identifier
    D001249

  • Condition identifier
    EFO_0000341
    Highest recorded phase
    2
  • Condition identifier
    MONDO_0004979
    Highest recorded phase
    2
  • Condition identifier
    MONDO_0005002
    Highest recorded phase
    2

Hydrogen bond acceptors
5
Hydrogen bond donors
4
Polar surface area
94.58
Calculated partition coefficient (ALogP)
4.23
Calculated partition coefficient (XLogP)
3.1
Prodrug
No
Chirality
Single enantiomer
Inorganic
No
Rule-of-five violations
0
Rotatable bonds
13
Heavy atoms
33
Molecular formula
C25H30F2N2O4
Monoisotopic mass
460.21736377
Natural product
No

Recorded assays
8
Active assays
6

  • Confirmatory
  • Other

Related records

Trials (15)

In development for (2)

Targets (1)