Details of the Drug

General Information of Drug (ID: DM2K51E)

Drug Name

EP-01492

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

514.7

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C31H38N4O3
IUPAC Name: (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
Canonical SMILES: CC(C)(C/C=C/C(=O)N(C)[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)[C@H](C3=CC=CC=C3)C(=O)NC)N
InChI: InChI=1S/C31H38N4O3/c1-31(2,32)19-11-16-27(36)34(4)26(21-22-17-18-23-12-9-10-15-25(23)20-22)30(38)35(5)28(29(37)33-3)24-13-7-6-8-14-24/h6-18,20,26,28H,19,21,32H2,1-5H3,(H,33,37)/b16-11+/t26-,28-/m1/s1
InChIKey: DPTDDSCCZNKDBZ-JABCAPRSSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Growth hormone secretagogue receptor 1 (GHSR)	TTWDC17	GHSR_HUMAN	Antagonist	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Obesity

ICD Disease Classification

5B81

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Growth hormone secretagogue receptor 1 (GHSR)	DTT	GHSR	4.56E-01	-0.14	-0.74

Molecular Expression Atlas (MEA)

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References

1	Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60.