Details of the Drug

General Information of Drug (ID: DMTYHK4)

Drug Name
FOSOPAMINE
Synonyms S-2055; SIM-2055; Fosopamine; N-Methyldopamine 4-O-phosphate; 4-[2-(Methylamino)ethyl]-1,2-benzenediol 1-(dihydrogen phosphate)
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 247.18
Logarithm of the Partition Coefficient (xlogp) -2.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C9H14NO5P
IUPAC Name
[2-hydroxy-4-[2-(methylamino)ethyl]phenyl] dihydrogen phosphate
Canonical SMILES
CNCCC1=CC(=C(C=C1)OP(=O)(O)O)O
InChI
InChI=1S/C9H14NO5P/c1-10-5-4-7-2-3-9(8(11)6-7)15-16(12,13)14/h2-3,6,10-11H,4-5H2,1H3,(H2,12,13,14)
InChIKey
WHEGQKBWPSOMHG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65878
CAS Number
103878-96-2
TTD ID
D0X8QP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Hypertension
ICD Disease Classification BA00-BA04
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002585)
2 Development of dopaminergic drugs for the chronic treatment of congestive heart failure. J Auton Pharmacol. 1990;10 Suppl 1:s85-93.