General Information of Drug (ID: DMH8VMP)

Drug Name
Emixustat
Synonyms
EMIXUSTAT; UNII-02DZ1HBF0M; 1141777-14-1; 02DZ1HBF0M; Emixustat [USAN:INN]; (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol; Incemixustat; ACU 4229; A3V; Emixustat (USAN); SCHEMBL966515; CHEMBL2107821; DTXSID50150665; WJIGGYYSZBWCGC-MRXNPFEDSA-N; ZINC59126886; AKOS032945088; CS-6177; DB12608; HY-19720; D10348; (r)-3-amino-1-(3-(cyclohexylmethoxy)phenyl)propan-1-ol; 3-Amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1(R)-ol hydro -chloride
Indication
Disease Entry ICD 11 Status REF
Age-related macular degeneration 9B75.0 Phase 2/3 [1]
Proliferative diabetic retinopathy 9B71.01 Phase 2 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 263.37
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H25NO2
IUPAC Name
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
Canonical SMILES
C1CCC(CC1)COC2=CC=CC(=C2)[C@@H](CCN)O
InChI
InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2/t16-/m1/s1
InChIKey
WJIGGYYSZBWCGC-MRXNPFEDSA-N
Cross-matching ID
PubChem CID
25221720
CAS Number
1141777-14-1
DrugBank ID
DB12608
TTD ID
D0GP1O
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Retinal pigment epithelium protein (RPE65) TTBOH16 RPE65_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01802866) Safety and Efficacy Assessment Treatment Trials of Emixustat Hydrochloride. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)