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Compound Detail

CHEMBL1200787

PHENOXYBENZAMINE HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200787
Name PHENOXYBENZAMINE HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key VBCPVIWPDJVHAN-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL753
Active Moiety CHEMBL753

Known Names

Dibenyline Dibenzylin Dibenzyline Dibenzyline chloride Dibenzyline hydrochloride Dibenzyran NSC-37448 Phenoxybenzamine chloride Phenoxybenzamine hcl Phenoxybenzamine hydrochloride
3
Targets
8
Activities
1
Assay Types
2
PK Parameters
20
Publications
10
Known Names
1
Indications
1
Mechanisms

Molecular Properties

303.8
MW (Da)
4.19
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1953
Availability Prescription
Chirality Racemic

Routes of Administration

Oral

Extended Properties

Molecular Formula C18H23Cl2NO
MW 340.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.67

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Adrenergic receptor alpha antagonist ANTAGONIST Adrenergic receptor alpha ✓ ✓

Indications

Pheochromocytoma

Activity Summary

IC50 8 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.8 5.28 1584.9 5
GroEL/GroES
CHEMBL4106139
 IC50 4.4 4.4 40000.0 1
HSP60/HSP10
CHEMBL4106131
 IC50 4.11 4.11 78000.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.03833 hr -
T1/2 0.01017 hr -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 1584.89 nM 5.8 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 2511.89 nM 5.6 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 7943.28 nM 5.1 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
GroEL/GroES IC50 = 40000.0 nM 4.4 Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Esche... 30852084
HSP60/HSP10 IC50 = 78000.0 nM 4.11 Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia co... 30852084

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5058564 HEK-293T 6
19734910 10.1038/nchembio.215 Plasmodium falciparum 5
30852084 10.1016/j.bmcl.2019.02.028 Unchecked 5
- 10.6019/CHEMBL5058564 Fibroblast 4
30852084 10.1016/j.bmcl.2019.02.028 GroEL/GroES 4
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 2
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 2
- 10.6019/CHEMBL5058564 U2OS 2
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 2
- 10.6019/CHEMBL5209801 G-protein coupled receptor 35 2
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 2
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 2
- 10.6019/CHEMBL5209801 Apelin receptor 2
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 2
1536 10.1021/jm00223a002 No relevant target 2
1536 10.1021/jm00223a002 Adrenergic receptor alpha 2
- 10.6019/CHEMBL5209801 CX3C chemokine receptor 1 2
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 2

Data from ChEMBL 36 via Core Engine