Details of the Drug

General Information of Drug (ID: DM3NDWK)

Drug Name

MK-1925

Synonyms

CHEMBL560667; MK-1925; SCHEMBL3540877; BDBM50296579

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

362.4

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C19H21F3N4
IUPAC Name: 3-[5-(3,5-difluorophenyl)-3-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]-4-methylpyrazol-1-yl]propanenitrile
Canonical SMILES: CC1=C(N(N=C1CN[C@H]2CC[C@H](C2)F)CCC#N)C3=CC(=CC(=C3)F)F
InChI: InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1
InChIKey: LJTOZIFFXNLWEQ-PBHICJAKSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor kappa (OPRK1)	TTQW87Y	OPRK_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Identification of MK-1925: a selective, orally active and brain-penetrable opioid receptor-like 1 (ORL1) antagonist. Bioorg Med Chem Lett. 2009 Aug 15;19(16):4729-32.