Details of the Drug

General Information of Drug (ID: DM904B6)

Drug Name

Lorglumide

Synonyms

Lorglumide; 97964-56-2; Lorglumide [INN]; Lorglumidum [Latin]; Lorglumida [Spanish]; CR-1409; CCRIS 6857; CHEMBL24938; CHEBI:88307; CR 1409; D,L-4-(3,4-Dichlorobenzoylamino)-5-(dipentylamino)-5-oxo-pentanoic acid; Lorglumida; Lorglumidum; (+-)-4-(3,4-Dichlorobenzamido)-N,N-dipentylglutaramic acid; 4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid; Pentanoic acid, 4-((3,4-dichlorobenzoyl)amino)-5-(dipentylamino)-5-oxo-, (+-)-; C22H32Cl2N2O4; 4-((3,4-dichlorobenzoyl)amino)-5-(dipentylamino)-5-oxopentanoic a

Indication

Disease Entry	ICD 11	Status	REF
Pancreatic malfunction	DC30-DC3Z	Terminated	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

459.4

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

14

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H32Cl2N2O4
IUPAC Name: 4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid
Canonical SMILES: CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl
InChI: InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)
InChIKey: IEKOTSCYBBDIJC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3960
ChEBI ID: CHEBI:88307
CAS Number: 97964-56-2
TTD ID: D0Y7WL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cholecystokinin receptor type A (CCKAR)	TTCG0AL	CCKAR_HUMAN	Antagonist	[2]

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

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Pancreatic malfunction

ICD Disease Classification

DC30-DC3Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Cholecystokinin receptor type A (CCKAR)	DTT	CCKAR	9.99E-01	-0.03	-0.2

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 891).
2	Behavioral and neurochemical study on the role of the brain cholecystokinin system in anxiety. Hokkaido Igaku Zasshi. 1998 Sep;73(5):463-73.