Buloxibutid

Highest phase reached
Early phase 1
Drug type
Small molecule

Listing at source
Listed
Highest phase reached
Early phase 1

Drug type
Small molecule
Drug name
Buloxibutid
Molecular weight
Structure (SMILES)
CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1

  • buloxibutid
  • Buloxibutid
  • buloxibutid [INN]
  • BULOXIBUTID [USAN]
  • buloxibutid inn
  • buloxibutid usan
  • c 21
  • C 21
  • C 21 [WHO-DD]
  • c 21 who dd
  • C-21
  • c21
  • C21
  • compound 21
  • Compound 21
  • m 24
  • M-24
  • t2 agonist compound 21
  • T2 agonist compound 21

CAS registry numbers
  • 477775-14-7
ChEMBL ID
CHEMBL189568
InChIKey
XTEOJPUYZWEXFI-UHFFFAOYSA-N
PubChem compound IDs
  • 9804984
FDA ingredient codes (UNII)
  • RC2V4W0EYC

First in class
No
Orphan designation
No

Pharmacology name
compound 21 [PMID: 22802221]
Type
Synthetic organic

  • Action
    Agonist
    Action type
    Agonist
    Target
    AT2 receptor
    Gene symbol
    AGTR2
    Protein identifier
    P50052
    Median affinity
    9.4
    Affinity units
    pKi
  • Action
    Full agonist
    Action type
    FULL_AGONIST
    Target
    AT2 receptor
    Gene symbol
    AGTR2
    Protein identifier
    P50052
    Median affinity
    4.8
    Affinity units
    pEC50

Investigated indications

  • Condition
    Pre-Eclampsia
    Highest recorded phase
    0.5
    Condition identifier
    EFO:0000668
    Subject identifier
    D011225

  • Condition identifier
    EFO_0000668
  • Condition identifier
    EFO_0000768
    Highest recorded phase
    2
  • Condition identifier
    EFO_1001461
    Highest recorded phase
    1
  • Condition identifier
    MONDO_0004995
    Highest recorded phase
    1
  • Condition identifier
    MONDO_0005044
    Highest recorded phase
    1
  • Condition identifier
    MONDO_0005081
    Highest recorded phase
    1
  • Condition identifier
    MONDO_0005148
    Highest recorded phase
    1
  • Condition identifier
    MONDO_0005252
    Highest recorded phase
    1
  • Condition identifier
    MONDO_0100096
    Highest recorded phase
    3

Hydrogen bond acceptors
7
Hydrogen bond donors
1
Polar surface area
90.29
Calculated partition coefficient (ALogP)
5.07
Calculated partition coefficient (XLogP)
5.3
Prodrug
No
Chirality
Achiral
Inorganic
No
Rule-of-five violations
1
Rotatable bonds
10
Heavy atoms
32
Molecular formula
C23H29N3O4S2
Monoisotopic mass
475.15994876
Natural product
No

Recorded assays
161
Active assays
37

  • Confirmatory
  • Other
  • Screening

Related records

Trials (11)

In development for (2)