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

CHEMBL12856

INAMRINONE
💊 Approved Drug
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
💊 Approved Drug
Nc1cc(-c2ccncc2)c[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12856
Name INAMRINONE
Phase Approved
Structure Type MOL
InChI Key RNLQIBCLLYYYFJ-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Amcoral Amrinona Amrinone C01CE01 Cartonic Cordemcura Inamrinone NSC-759805 Vesistol WIN 40680 WIN-40680 Wincoram
11
Targets
32
Activities
3
Assay Types
6
PK Parameters
20
Publications
12
Known Names
1
Indications

Molecular Properties

187.2
MW (Da)
1.02
ALogP
3
HBA
2
HBD
71.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1984
Availability Prescription
Chirality Achiral

Routes of Administration

Parenteral

Flags

Natural Product
USAN Stem -rinone
USAN Year 1999

Extended Properties

Molecular Formula C10H9N3O
MW 187.20
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.67

Indications

Cardiovascular Diseases

ATC Classification

C01CE01
amrinone
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY

Activity Summary

IC50 26 meas. best 5.32
EC50 3 meas. best 5.13
Ki 3 meas. best 4.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase; PDE3 & PDE4
CHEMBL2095153
 IC50 5.32 5.32 4800.0 1
Cavia porcellus
CHEMBL369
 EC50 5.13 5.13 7400.0 1
Homo sapiens
CHEMBL372
 IC50 4.82 4.56 15000.0 2
Phosphodiesterase 3
CHEMBL2094125
 IC50 4.8 4.5056 16000.0 9
Aorta
CHEMBL613606
 EC50 4.77 4.66 17000.0 2
Phosphodiesterase 4
CHEMBL2093863
 IC50 4.39 4.39 41000.0 1
Unchecked
CHEMBL612545
 IC50 4.3 4.3 50000.0 1
Aurora kinase B/Inner centromere protein
CHEMBL3430907
 Ki 4.23 4.23 59300.0 1
1-acylglycerol-3-phosphate O-acyltransferase ABHD5/Perilipin-5
CHEMBL3885501
 IC50 4.1 4.1 78816.0 1
Dual specificity protein kinase TTK
CHEMBL3983
 Ki 4.09 4.09 80800.0 1
Aurora kinase A
CHEMBL4722
 Ki 3.4 3.4 393900.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 8.9 mL.min-1.kg-1 Homo sapiens
CL 8.9 mL.min-1.kg-1 Homo sapiens
F 80.0 % Homo sapiens
Fu 0.89 - Homo sapiens
MRT 2.4 hr Homo sapiens
T1/2 2.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase; PDE3 & PDE4 IC50 = 4800.0 nM 5.32 Inhibition of Sarcoplasmic Reticulum cAMP Phosphodiesterase from canine myocardi... 3033241
Cavia porcellus EC50 = 7400.0 nM 5.13 Tested in vitro for tracheal relaxation 9379444
Homo sapiens IC50 = 15000.0 nM 4.82 In vitro inhibition of collagen stimulated platelet aggregation in human thrombo... 2536438
Phosphodiesterase 3 IC50 = 16000.0 nM 4.8 Inhibitory activity against Phosphodiesterase 3 from heart. 9379444
Phosphodiesterase 3 IC50 = 16000.0 nM 4.8 Inhibition of Phosphodiesterase 3 from human platelets at 1E-7-1E-4M or 1.0E-6 t... 2536438
Phosphodiesterase 3 IC50 = 16700.0 nM 4.78 Inhibition of human recombinant PDE3 expressed in Escherichia coli 37077378
Aorta EC50 = 17000.0 nM 4.77 Vasorelaxant activity in Wistar rat endothelium-intact thoracic aortic rings ass... 24929291
Aorta EC50 = 28000.0 nM 4.55 Vasorelaxant activity in Wistar rat endothelium-denuded thoracic aortic rings as... 24929291
Phosphodiesterase 3 IC50 = 28000.0 nM 4.55 In vitro inhibitory activity against cAMP phosphodiesterase III in dog aorta 8295212
Phosphodiesterase 3 IC50 = 35000.0 nM 4.46 Inhibition of low Km cyclic cAMP phosphodiesterase PDE III of guinea pig ventric... 2985781
Phosphodiesterase 4 IC50 = 41000.0 nM 4.39 Inhibition of canine heart Phosphodiesterase 4 2153209
Phosphodiesterase 3 IC50 = 46000.0 nM 4.34 Inhibition of cAMP PDE III enzyme 2822927
Phosphodiesterase 3 IC50 = 50000.0 nM 4.3 Inhibition of fraction III of guinea pig phosphodiesterase 6471063
Phosphodiesterase 3 IC50 = 50000.0 nM 4.3 Inhibitory concentration against cAMP PDE III enzyme in guinea pig 2822926
Homo sapiens IC50 = 50000.0 nM 4.3 In vitro inhibition of ADP stimulated platelet aggregation in human whole blood 2536438
Unchecked IC50 = 50000.0 nM 4.3 Inhibition of phosphodiesterase 3 from guinea pig cardiac tissue at 1E-7-1E-4M o... 2536438
Aurora kinase B/Inner centromere protein Ki = 59300.0 nM 4.23 Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end res... 29764757
Phosphodiesterase 3 IC50 = 60000.0 nM 4.22 Inhibition of canine cardiac fraction III cAMP phosphodiesterase (PDE 3) at 1.87... 3039135
1-acylglycerol-3-phosphate O-acyltransferase ABHD5/Perilipin-5 IC50 = 78816.0 nM 4.1 PUBCHEM_BIOASSAY: Luminescence-based biochemical high throughput dose response a... -
Dual specificity protein kinase TTK Ki = 80800.0 nM 4.09 Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as ... 29764757

Literature References

PubMed DOI Target Context # Activities
3599022 10.1021/jm00390a007 Canis familiaris 20
8355248 10.1021/jm00069a005 Cavia porcellus 18
16472241 10.2174/1570163043334794 Hepatotoxicity 18
21051535 10.1124/dmd.110.034629 ADMET 15
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
8809156 10.1021/jm9508649 Cavia porcellus 14
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
2536438 10.1021/jm00122a011 Canis familiaris 5
2864447 10.1021/jm00148a006 Canis familiaris 5
4009593 10.1021/jm00383a006 Felis catus 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
18426954 10.1124/dmd.108.020479 ADMET 4
2536438 10.1021/jm00122a011 Homo sapiens 4
3039135 10.1021/jm00391a026 Canis familiaris 4
3033241 10.1021/jm00388a014 Canis familiaris 3
20014752 10.1021/tx900326k Hepatotoxicity 3
3701782 10.1021/jm00155a009 Canis familiaris 3
2153209 10.1021/jm00163a052 Phosphodiesterase 4 3
3027335 10.1021/jm00385a001 Phosphodiesterase; PDE3 & PDE4 3

Data from ChEMBL 36 via Core Engine