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]
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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

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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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)

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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.