Details of the Drug

General Information of Drug (ID: DM15MRZ)

Drug Name

IMR-687

Synonyms

Tovinontrine; UNII-W248Y1AKOR; W248Y1AKOR; 2062661-53-2; a]pyrazin-8(7H)-one; CHEMBL4297290; SCHEMBL20358493; BDBM426313; US10513524, Compound (P3; 6-{(3S,4S)-4-methyl-1-[(pyrimidin-2-; yl)methyl]pyrrolidin-3-yl}-3-(oxan-4-yl)imidazo[1,5-; 6-((3S,4S)-4-Methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-tetrahydropyran-4-yl-7himidazo(1,5-a)pyrazin-8-one; Imidazo(1,5-a)pyrazin-8(7H)-one, 6-((3S,4S)-4-methyl-1-(2-pyrimidinylmethyl)-3-pyrrolidinyl)-3-(tetrahydro-2H-pyran-4-yl)-

Indication

Disease Entry	ICD 11	Status	REF
Sickle-cell disorder	3A51	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

394.5

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C21H26N6O2
IUPAC Name: 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
Canonical SMILES: C[C@@H]1CN(C[C@H]1C2=CN3C(=CN=C3C4CCOCC4)C(=O)N2)CC5=NC=CC=N5
InChI: InChI=1S/C21H26N6O2/c1-14-10-26(13-19-22-5-2-6-23-19)11-16(14)17-12-27-18(21(28)25-17)9-24-20(27)15-3-7-29-8-4-15/h2,5-6,9,12,14-16H,3-4,7-8,10-11,13H2,1H3,(H,25,28)/t14-,16-/m1/s1
InChIKey: GWGNPYYVGANHRJ-GDBMZVCRSA-N

Cross-matching ID

PubChem CID: 124220601
CAS Number: 2062661-53-2
UNII: W248Y1AKOR
DrugBank ID: DB16193
TTD ID: D1Z0IM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 9 (PDE9)	TTZOEBC	PDE9A_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Sickle-cell disorder

ICD Disease Classification

3A51

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Phosphodiesterase 9 (PDE9)	DTT	PDE9A	8.73E-03	0.07	0.36

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT03401112) A Study of IMR-687 in Adult Patients With Sickle Cell Anaemia (Homozygous HbSS or Sickle-beta0 Thalassemia). U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of Imara.