Details of the Drug

General Information of Drug (ID: DMYDWH1)

Drug Name

AZ13483342

Synonyms

AZ 13483342; AZ-13483342

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

341.5

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C19H23N3OS
IUPAC Name: N'-(6-methoxy-4-methylquinolin-2-yl)-N-(thiophen-3-ylmethyl)propane-1,3-diamine
Canonical SMILES: CC1=CC(=NC2=C1C=C(C=C2)OC)NCCCNCC3=CSC=C3
InChI: InChI=1S/C19H23N3OS/c1-14-10-19(22-18-5-4-16(23-2)11-17(14)18)21-8-3-7-20-12-15-6-9-24-13-15/h4-6,9-11,13,20H,3,7-8,12H2,1-2H3,(H,21,22)
InChIKey: ZDKZIFSAJUTJSK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Melanin-concentrating hormone receptor 1 (MCHR1)	TTX4RTB	MCHR1_HUMAN	Antagonist	[1]

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Molecular Interaction Atlas (MIA)

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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
Melanin-concentrating hormone receptor 1 (MCHR1)	DTT	MCHR1	6.98E-01	-0.01	-0.04

Molecular Expression Atlas (MEA)

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References

1	Discovery of cyclopentane- and cyclohexane-trans-1,3-diamines as potent melanin-concentrating hormone receptor 1 antagonists. Bioorg Med Chem Lett. 2007 Aug 1;17(15):4232-41.