Details of the Drug

General Information of Drug (ID: DMF50YH)

Drug Name

2-Dipropylamino-1,2,3,4-tetrahydro-anthracen-9-ol

Synonyms

CHEMBL62297; 2-Dipropylamino-1,2,3,4-tetrahydro-anthracen-9-ol

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

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

297.4

Logarithm of the Partition Coefficient (xlogp)

5.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H27NO
IUPAC Name: 2-(dipropylamino)-1,2,3,4-tetrahydroanthracen-9-ol
Canonical SMILES: CCCN(CCC)C1CCC2=CC3=CC=CC=C3C(=C2C1)O
InChI: InChI=1S/C20H27NO/c1-3-11-21(12-4-2)17-10-9-16-13-15-7-5-6-8-18(15)20(22)19(16)14-17/h5-8,13,17,22H,3-4,9-12,14H2,1-2H3
InChIKey: TXKDLYBWCJNMHU-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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	Synthesis of new derivatives of 8-OH-DPAT: Influence of substitution on the aromatic ring on the pharmacological profile, Bioorg. Med. Chem. Lett. 3(10):2035-2038 (1993).