ZAMICASTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: YLU32D0DNV

Structure
InChI Key ZSSLCFLHEFXANG-GOSISDBHSA-N
Smile Fc1cc(F)c2c(c1)C[C@@H](n1c(CCNCc3ccccc3)c[nH]c1=S)CO2
InChI
InChI=1S/C21H21F2N3OS/c22-16-8-15-9-18(13-27-20(15)19(23)10-16)26-17(12-25-21(26)28)6-7-24-11-14-4-2-1-3-5-14/h1-5,8,10,12,18,24H,6-7,9,11,13H2,(H,25,28)/t18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H21F2N3OS
Molecular Weight 401.48
AlogP 4.33
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 41.98
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dopamine beta-hydroxylase inhibitor PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension, Pulmonary 2 D006976 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594440
EPA CompTox DTXSID80148358
FDA SRS YLU32D0DNV
PubChem 25052630
SureChEMBL SCHEMBL2832423
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