General
Preferred name
CIMATEROL
Synonyms
ABA-663 ()
AC-263780 ()
AB-A-66 ()
AB-A 663 ()
AB-A 66 ()
AC 263,780 ()
Cimaterol-d7 ()
P&D ID
PD014651
CAS
54239-37-1
1228182-44-2
Tags
drug candidate
natural product
biased GPCR ligand
available
Drug indication
Repartitioning Agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Cimaterol is a β-adrenoceptor agonist . (GtoPdb)
DESCRIPTION Selective A1 antagonist (Tocris Bioactive Compound Library)
DESCRIPTION β agonist (Tocriscreen Total)
Compound Sets
10
BiasDB
Cimaterol
Cayman Chemical Bioactives
15613
28903
ChEMBL Drugs
CHEMBL1374751
Concise Guide to Pharmacology 2023/24
12578
DrugMatrix
Enamine BioReference Compounds
Guide to Pharmacology
12578
NPC Screening Collection
Tocris Bioactive Compound Library
0435
Tocriscreen Total
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
219.14
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
1.17
TPSA
82.07
Fraction CSP3
0.42
Chiral centers
1.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
Non-selective Adrenergic ? Receptors
MOA
Agonist
Source data