Details of the Drug

General Information of Drug (ID: DMUFLNT)

Drug Name

RP-71483

Synonyms

138279-55-7

Indication

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

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

536.6

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C30H28N6O4
IUPAC Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[[3-[(Z)-hydroxyiminomethyl]phenyl]carbamoylamino]-N-quinolin-8-ylacetamide
Canonical SMILES: C1CC2=CC=CC=C2N(C1)C(=O)CN(C3=CC=CC4=C3N=CC=C4)C(=O)CNC(=O)NC5=CC=CC(=C5)/C=N\\O
InChI: InChI=1S/C30H28N6O4/c37-27(19-32-30(39)34-24-12-3-7-21(17-24)18-33-40)36(26-14-4-9-23-10-5-15-31-29(23)26)20-28(38)35-16-6-11-22-8-1-2-13-25(22)35/h1-5,7-10,12-15,17-18,40H,6,11,16,19-20H2,(H2,32,34,39)/b33-18-
InChIKey: MKQFGVTYYCUUEG-OHUYPAJKSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gastrin/cholecystokinin type B receptor (CCKBR)	TTVFO0U	GASR_HUMAN	Modulator	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Gastrin/cholecystokinin type B receptor (CCKBR)	DTT	CCKBR	6.53E-01	1.00E-03	4.05E-03

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Pharmacological properties of ureido-acetamides, new potent and selective non-peptide CCKB/gastrin receptor antagonists. Eur J Pharmacol. 1994 Sep 12;262(3):233-45.