Details of the Drug

General Information of Drug (ID: DMFBMYG)

Drug Name

KF-A5

Synonyms

KF-A5; CHEMBL491754; SCHEMBL10704523; BDBM50249782

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): 0

Molecular Weight (mw)

336.5

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C22H28N2O
IUPAC Name: 10-[5-(diethylamino)pentyl]acridin-9-one
Canonical SMILES: CCN(CC)CCCCCN1C2=CC=CC=C2C(=O)C3=CC=CC=C31
InChI: InChI=1S/C22H28N2O/c1-3-23(4-2)16-10-5-11-17-24-20-14-8-6-12-18(20)22(25)19-13-7-9-15-21(19)24/h6-9,12-15H,3-5,10-11,16-17H2,1-2H3
InChIKey: YCWGZWYJTIJTHX-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Norepinephrine transporter (NET)	TTAWNKZ	SC6A2_HUMAN	Inhibitor	[1]
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Inhibitor	[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
Serotonin transporter (SERT)	DTT	SLC6A4	8.76E-01	7.18E-05	6.19E-04

Molecular Expression Atlas (MEA)

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References

1	Design, synthesis, and evaluation of 10-N-substituted acridones as novel chemosensitizers in Plasmodium falciparum. Antimicrob Agents Chemother. 2007 Nov;51(11):4133-40.