Details of the Drug

General Information of Drug (ID: DM5QFT4)

Drug Name

Declopramide

Synonyms

IBD therapy, Active Biotech; Inflammatory bowel disease therapy, Active Biotech; OXi-104; IMO-B project, Active Biotech; 3-CPA; 3-chloroprocainamide

Indication

Disease Entry	ICD 11	Status	REF
Inflammatory bowel disease	DD72	Discontinued in Phase 2	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

269.77

Topological Polar Surface Area (xlogp)

1.7

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H20ClN3O
IUPAC Name: 4-amino-3-chloro-N-[2-(diethylamino)ethyl]benzamide
Canonical SMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1)N)Cl
InChI: InChI=1S/C13H20ClN3O/c1-3-17(4-2)8-7-16-13(18)10-5-6-12(15)11(14)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18)
InChIKey: YEYAKZXEBSVURO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 70177
CAS Number: 891-60-1
DrugBank ID: DB06421
TTD ID: D09EEV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Modulator	[2]
Muscarinic acetylcholine receptor M1 (CHRM1)	TTZ9SOR	ACM1_HUMAN	Modulator	[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

Inflammatory bowel disease

ICD Disease Classification

DD72

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Muscarinic acetylcholine receptor M1 (CHRM1)	DTT	CHRM1	5.59E-01	0.19	0.41
Dopamine D2 receptor (D2R)	DTT	DRD2	2.20E-03	-0.51	-1.35

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

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