Details of the Drug

General Information of Drug (ID: DMBG6LP)

Drug Name

SGB-1534

Synonyms

Sgb-1534; 3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}quinazoline-2,4(1h,3h)-dione hydrochloride(1:1); SGB 1534; AC1Q3ELH; AC1L3TWP; SCHEMBL3624263; CTK8D4853; AKOS030540550; 88068-72-8; 3-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-(1H,3H)-quinazoline-2,4-dione hcl; 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione hydrochloride; 2,4(1H,3H)-Quinazolinedione,3-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, monohydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Hypotension	BA20-BA21	Discontinued in Phase 2	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

416.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C21H25ClN4O3
IUPAC Name: 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione;hydrochloride
Canonical SMILES: COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=CC=CC=C4NC3=O.Cl
InChI: InChI=1S/C21H24N4O3.ClH/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27;/h2-9H,10-15H2,1H3,(H,22,27);1H
InChIKey: NPNDIKQZGVCHMQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 122064
CAS Number: 88068-72-8
TTD ID: D0A5TM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_HUMAN	Modulator	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Hypotension

ICD Disease Classification

BA20-BA21

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000148)
2	Potent alpha-adrenoceptor blocking action of SGB-1534, a new quinazoline antihypertensive agent in vitro experiments. Gen Pharmacol. 1986;17(2):143-9.