General
Preferred name
DOBUTAMINE HYDROCHLORIDE
Synonyms
Dobutamine (hydrochloride) ()
46236 ()
NSC-299583 ()
Dobutamine hcl ()
Posiject ()
Dl-dobutamine hydrochloride ()
Dobutrex ()
P&D ID
PD001047
CAS
49745-95-1
34368-04-2
Tags
natural product
drug
available
Drug Status
approved
Max Phase
Phase 4
Drug indication
Cardiotonic
First approval
1978
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 beta1 Adrenoceptor agonist (LOPAC library)
DESCRIPTION alpha1, beta1 and beta2 agonist (Tocriscreen Plus)
DESCRIPTION Selective 5-HT2A antagonist (Tocris Bioactive Compound Library)
DESCRIPTION α1, β1 and β2 agonist (Tocriscreen Total)
Cell lines
0
Organisms
1
Compound Sets
13
AdooQ Bioactive Compound Library
A10325
Cayman Chemical Bioactives
15582
ChEMBL Approved Drugs
CHEMBL1200418
ChEMBL Drugs
CHEMBL1200418
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1200418
MedChem Express Bioactive Compound Library
HY-15746
Prestwick Chemical Library
TargetMol Bioactive Compound Library
T8149
The Spectrum Collection
Tocris Bioactive Compound Library
0515
Tocriscreen Plus
0515
Tocriscreen Total
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
337.14
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
7
Ring Count
2
Aromatic Ring Count
2
cLogP
3.38
TPSA
72.72
Fraction CSP3
0.33
Chiral centers
1.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Selectivity
beta1
Pathway
GPCR/G protein
Neuroscience
Neuronal Signaling
Target
Adrenergic Receptor
Primary Target
Non-selective Adrenergic ? Receptors
MOA
Agonist
Source data