Details of the Drug

General Information of Drug (ID: DMM8GZT)

Drug Name
DL-017
Synonyms 3-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-5-(methylsulfanyl)-2,3-dihydroimidazo[1,2-c]quinazoline
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 421.6
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C23H27N5OS
IUPAC Name
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]quinazoline
Canonical SMILES
COC1=CC=CC=C1N2CCN(CC2)CC3CN=C4N3C(=NC5=CC=CC=C54)SC
InChI
InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3
InChIKey
DVYBIZHLZSDANU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9931976
ChEBI ID
CHEMBL1744044
TTD ID
D00POS
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-1D (ADRA1D) TT34BHT ADA1D_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Antihypertensive action and blockade of alpha1-adrenoceptors by DL-017, a quinazoline derivative. J Cardiovasc Pharmacol. 2001 Dec;38(6):893-9.