Details of the Drug

General Information of Drug (ID: DMZ5BHX)

Drug Name

PMID22123324C38

Synonyms

GTPL7757

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): 1

Molecular Weight (mw)

466.6

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C30H34N4O
IUPAC Name: 3-[[(1R)-1-(propylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]carbazole-9-carboxamide
Canonical SMILES: CCCN[C@@H]1CC2(CCN(CC2)CC3=CC4=C(C=C3)N(C5=CC=CC=C54)C(=O)N)C6=CC=CC=C16
InChI: InChI=1S/C30H34N4O/c1-2-15-32-26-19-30(25-9-5-3-8-23(25)26)13-16-33(17-14-30)20-21-11-12-28-24(18-21)22-7-4-6-10-27(22)34(28)29(31)35/h3-12,18,26,32H,2,13-17,19-20H2,1H3,(H2,31,35)/t26-/m1/s1
InChIKey: LMNFAMWQPPUUNJ-AREMUKBSSA-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 2 (MCHR2)	TTS17MG	MCHR2_HUMAN	Antagonist	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery and characterization of a potent and selective antagonist of melanin-concentrating hormone receptor 2. Bioorg Med Chem Lett. 2012 Jan 1;22(1):363-6.