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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL12856
CHEMBL12856
Compound Name INAMRINONE
ChEMBL Synonyms AMRINONE | INAMRINONE LACTATE | AMRINONE LACTATE | INOCOR | WIN 40680 | INAMRINONE
Max Phase 4 (Approved)
Trade Names INOCOR | AMRINONE LACTATE
Molecular Formula C10H9N3O

Additional synonyms for CHEMBL12856 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=CC(=CNC1=O)c2ccncc2
Standard InChI InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6 ...
Download InChI
Standard InChI Key RNLQIBCLLYYYFJ-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL12856

Molecule Features

CHEMBL12856 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Phosphodiesterase 3A inhibitor Phosphodiesterase 3A PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC

Clinical Data

ClinicalTrials.gov INAMRINONE
The Cochrane Collaboration INAMRINONE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL12856. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2069161 Probable G-protein coupled receptor 142 Homo sapiens 1.000
CHEMBL5407 Serine/threonine-protein kinase PIM3 Homo sapiens 0.997
CHEMBL3231 Rho-associated protein kinase 1 Homo sapiens 0.990
CHEMBL5443 Cell division cycle 7-related protein kinase Homo sapiens 0.988
CHEMBL2973 Rho-associated protein kinase 2 Homo sapiens 0.978
CHEMBL4630 Serine/threonine-protein kinase Chk1 Homo sapiens 0.963
CHEMBL4523 Serine/threonine-protein kinase PIM2 Homo sapiens 0.958
CHEMBL2147 Serine/threonine-protein kinase PIM1 Homo sapiens 0.918
CHEMBL2935 Purine nucleoside phosphorylase Bos taurus 0.840
CHEMBL6166 Mitogen-activated protein kinase kinase kinase kinase 4 Homo sapiens 0.594
CHEMBL2959 Tyrosine-protein kinase ITK/TSK Homo sapiens 0.469
CHEMBL3863 Protein kinase C mu Homo sapiens 0.349
CHEMBL4179 c-Jun N-terminal kinase 2 Homo sapiens 0.209



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2069161 Probable G-protein coupled receptor 142 Homo sapiens 1.000
CHEMBL5407 Serine/threonine-protein kinase PIM3 Homo sapiens 0.999
CHEMBL5443 Cell division cycle 7-related protein kinase Homo sapiens 0.998
CHEMBL3231 Rho-associated protein kinase 1 Homo sapiens 0.997
CHEMBL2973 Rho-associated protein kinase 2 Homo sapiens 0.990
CHEMBL4630 Serine/threonine-protein kinase Chk1 Homo sapiens 0.987
CHEMBL4523 Serine/threonine-protein kinase PIM2 Homo sapiens 0.985
CHEMBL2147 Serine/threonine-protein kinase PIM1 Homo sapiens 0.977
CHEMBL6166 Mitogen-activated protein kinase kinase kinase kinase 4 Homo sapiens 0.935
CHEMBL2935 Purine nucleoside phosphorylase Bos taurus 0.907
CHEMBL4179 c-Jun N-terminal kinase 2 Homo sapiens 0.614
CHEMBL2959 Tyrosine-protein kinase ITK/TSK Homo sapiens 0.614
CHEMBL3863 Protein kinase C mu Homo sapiens 0.478
CHEMBL260 MAP kinase p38 alpha Homo sapiens 0.341
CHEMBL4101 cAMP-dependent protein kinase alpha-catalytic subunit Homo sapiens 0.228
CHEMBL4900 Serine/threonine-protein kinase D2 Homo sapiens 0.211

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
187.2 187.0746 1.02 1 71.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.05 5.72 -.21 -.22 2 14 0.7

Structural Alerts

There are 1 structural alerts for CHEMBL12856. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C01 - CARDIAC THERAPY
C01C - CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
C01CE - Phosphodiesterase inhibitors
C01CE01 - amrinone

ChemSpider ChemSpider:RNLQIBCLLYYYFJ-UHFFFAOYSA-N
PubChem SID: 11112811 SID: 11533005 SID: 124882647 SID: 144205663 SID: 144212164 SID: 170465367 SID: 26750001 SID: 26757798 SID: 56424028
Wikipedia Amrinone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL12856



ACToR 60719-84-8
BindingDB 34651
Brenda 13050
ChEBI 2686
DrugBank DB01427
DrugCentral 201
eMolecules 534154
EPA CompTox Dashboard DTXSID9022603
FDA SRS JUT23379TN
Guide to Pharmacology 7202
Human Metabolome Database HMDB0015496
IBM Patent System 97C792B5C551966673EDAAB717E551D4
LINCS LSM-6600
Mcule MCULE-2781267039
MolPort MolPort-002-652-742
Nikkaji J17.949C
PharmGKB PA164746803
PubChem 3698
PubChem: Drugs of the Future 12013242
PubChem: Thomson Pharma 15322199
SureChEMBL SCHEMBL44012
ZINC ZINC000008673078

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RNLQIBCLLYYYFJ-UHFFFAOYSA-N spacer
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