Details of the Drug

General Information of Drug (ID: DMDC1B4)

Drug Name

RS-30199

Synonyms

RS-30199; CHEMBL345214; AC1L2OSK; GTPL104; SCHEMBL10467449; BDBM50228699; L004592

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)

235.75

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C14H18ClN
IUPAC Name: 2-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1,3,5(14)-triene
Canonical SMILES: CN1CCC2=C(C=CC3=C2C(C1)CCC3)Cl
InChI: InChI=1S/C14H18ClN/c1-16-8-7-12-13(15)6-5-10-3-2-4-11(9-16)14(10)12/h5-6,11H,2-4,7-9H2,1H3
InChIKey: KELNXILYABMXFF-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Modulator (allosteric modulator)	[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
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

Molecular Expression Atlas (MEA)

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References

1	Interaction of the anxiogenic agent, RS-30199, with 5-HT1A receptors: modulation of sexual activity in the male rat. Neuropharmacology. 1998 Jun;37(6):769-80.