Bexotegrast

Highest phase reached
Drug type
Small molecule

Listing at source
Listed
Highest phase reached

Drug type
Small molecule
Drug name
Bexotegrast
Molecular weight
Structure (SMILES)
COCCN(CCCCC1=CC=C2CCCN=C2N1)CC[C@H](Nc1ncnc2ccccc12)C(=O)O

  • bexotegrast
  • Bexotegrast
  • bexotegrast [INN]
  • BEXOTEGRAST [USAN]
  • bexotegrast inn
  • bexotegrast usan
  • pln 74809
  • Pln 74809
  • PLN 74809 [WHO-DD]
  • pln 74809 who dd
  • PLN-74809

CAS registry numbers
  • 2376257-44-0
ChEMBL ID
CHEMBL5095257
InChIKey
CWOFQJBATWQSHL-DEOSSOPVSA-N
PubChem compound IDs
  • 135390719
FDA ingredient codes (UNII)
  • QCV154PFT4

First in class
No
Orphan designation
No

Pharmacology name
bexotegrast
Type
Synthetic organic
Drug name stem
-ast

Mechanisms of action

  • Action
    Antagonist
    Action type
    Antagonist
    Target
    integrin, alpha V subunit
    Gene symbol
    ITGAV
    Protein identifier
    P06756
    Median affinity
    5.47
    Affinity units
    pIC50

  • Condition
    Idiopathic Pulmonary Fibrosis
    Highest recorded phase
    2
    Condition identifier
    EFO:0000768
    Subject identifier
    D054990
  • Condition
    Cholangitis, Sclerosing
    Highest recorded phase
    2
    Condition identifier
    EFO:0004268
    Subject identifier
    D015209
  • Condition
    Pulmonary Fibrosis
    Highest recorded phase
    1
    Condition identifier
    EFO:0009448
    Subject identifier
    D011658
  • Condition
    Inflammation
    Highest recorded phase
    2
    Condition identifier
    MP:0001845
    Subject identifier
    D007249

  • Condition identifier
    EFO_0000768
    Highest recorded phase
    2
  • Condition identifier
    EFO_0004268
    Highest recorded phase
    2
  • Condition identifier
    EFO_0009448
  • Condition identifier
    HP_0001395
    Highest recorded phase
    2
  • Condition identifier
    MONDO_0002771
  • Condition identifier
    MONDO_0006502
    Highest recorded phase
    2
  • Condition identifier
    MONDO_0018646
    Highest recorded phase
    2
  • Condition identifier
    MONDO_0100096
    Highest recorded phase
    2
  • Condition identifier
    MP_0001845

Hydrogen bond acceptors
8
Hydrogen bond donors
3
Polar surface area
111.97
Calculated partition coefficient (ALogP)
3.61
Calculated partition coefficient (XLogP)
1.8
Prodrug
No
Chirality
Single enantiomer
Inorganic
No
Rule-of-five violations
0
Rotatable bonds
14
Heavy atoms
36
Molecular formula
C27H36N6O3
Monoisotopic mass
492.28488903
Natural product
No

Recorded assays
14
Active assays
14

Active assay types

  • Confirmatory

Related records

Trials (6)

In development for (3)