Details of the Drug

General Information of Drug (ID: DMH21JG)

Drug Name

LY-293284

Synonyms

LY-293284; LY 293284; 141318-62-9; LY293284; 6-Acetyl-4-(di-n-propylamino)-1,3,4,5-tetrahydrobenz(c,d)indole; LY-293,284; 1-(4-Dipropylamino-1,3,4,5-tetrahydro-benzo[cd]indol-6-yl)-ethanone; Ethanone, 1-(4-(dipropylamino)-1,3,4,5-tetrahydrobenz(cd)indol-6-yl)-, (R)-; GTPL19; AC1L30TM; SCHEMBL6902000; DTXSID70161692; LS-173111

Indication

Disease Entry	ICD 11	Status	REF
Anxiety disorder	6B00-6B0Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

298.4

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H26N2O
IUPAC Name: 1-[(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]ethanone
Canonical SMILES: CCCN(CCC)[C@H]1CC2=CNC3=C2C(=C(C=C3)C(=O)C)C1
InChI: InChI=1S/C19H26N2O/c1-4-8-21(9-5-2)15-10-14-12-20-18-7-6-16(13(3)22)17(11-15)19(14)18/h6-7,12,15,20H,4-5,8-11H2,1-3H3/t15-/m0/s1
InChIKey: CKYZLYQSDNLGPT-HNNXBMFYSA-N

Cross-matching ID

PubChem CID: 132345
CAS Number: 141318-62-9
TTD ID: D0Q2PF

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	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Anxiety disorder

ICD Disease Classification

6B00-6B0Z

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)

MEA Detail

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 19).
2	Pharmacological characterization of LY293284: A 5-HT1A receptor agonist with high potency and selectivity. J Pharmacol Exp Ther. 1994 Sep;270(3):1270-81.