Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1204146

PHENTOLAMINE HYDROCHLORIDE
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204146
Name PHENTOLAMINE HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key TUEJFGFQYKDAPM-UHFFFAOYSA-N
Parent Compound CHEMBL597
Active Moiety CHEMBL597

Known Names

NSC-757431 Phentolamine hcl Phentolamine hydrochloride
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
13
Publications
3
Known Names

Molecular Properties

281.4
MW (Da)
2.84
ALogP
4
HBA
2
HBD
47.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C17H20ClN3O
MW 317.82
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.24

Activity Summary

Kd 2 meas. best 7.78
Ki 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adrenergic receptor alpha-1
CHEMBL1907610
 Ki 7.82 7.82 15.2 1
Adrenergic receptor alpha-1
CHEMBL2094251
 Kd 7.78 7.78 16.6 1
Cavia porcellus
CHEMBL369
 Kd 5.7 5.7 1995.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adrenergic receptor alpha-1 Ki = 15.2 nM 7.82 Displacement of [3H]-prazosin from alpha1 adrenoceptor in Wistar Hannover rat ce... 24161678
Adrenergic receptor alpha-1 Kd = 16.6 nM 7.78 In vitro blocking activity against alpha adrenergic receptor, isolated from rabb... 6115059
Cavia porcellus Kd = 1995.26 nM 5.7 spasmolytic activity in isolated guinea pig ileum preparation;- log KB; (Bacl2) 6115059

Literature References

PubMed DOI Target Context # Activities
6115059 10.1021/jm00135a017 Rattus norvegicus 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
6115059 10.1021/jm00135a017 Adrenergic receptor alpha-1 1
6115059 10.1021/jm00135a017 Adrenergic receptor beta 1
6115059 10.1021/jm00135a017 Cavia porcellus 1
6115059 10.1021/jm00135a017 Adrenergic receptor alpha 1
24161678 10.1016/j.ejmech.2013.09.018 Adrenergic receptor alpha-1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine