FULACIMSTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VIR72PP4ZU

Structure
InChI Key JDARDSVOVYVQST-MRXNPFEDSA-N
Smile Cn1c(=O)oc2cc(-n3cc(C(=O)O)c(=O)n([C@@H]4CCc5c4cccc5C(F)(F)F)c3=O)ccc21
InChI
InChI=1S/C23H16F3N3O6/c1-27-17-7-5-11(9-18(17)35-22(27)34)28-10-14(20(31)32)19(30)29(21(28)33)16-8-6-12-13(16)3-2-4-15(12)23(24,25)26/h2-5,7,9-10,16H,6,8H2,1H3,(H,31,32)/t16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H16F3N3O6
Molecular Weight 487.39
AlogP 2.7
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 116.44
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Chymase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 147000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- 4200 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 21000 - - -
Enzyme Hydrolase
- 8 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 140 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 2 D006333 ClinicalTrials
Diabetic Nephropathies 2 D003928 ClinicalTrials
Myocardial Infarction 2 D009203 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297596
DrugBank DB15085
FDA SRS VIR72PP4ZU
PubChem 91758792
SureChEMBL SCHEMBL16701233
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