Details of the Drug

General Information of Drug (ID: DM24OIX)

Drug Name
ZL006
Synonyms 4-((3,5-dichloro-2-hydroxybenzyl)amino)-2-hydroxybenzoic acid; SCHEMBL15367533; ZINC68267234; ZL-006; AKOS032945012; CS-5881; ZL006, > HY-100456; J3.550.774D
Indication
Disease Entry ICD 11 Status REF
Fear-related disorder 6B0Z Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 328.1
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H11Cl2NO4
IUPAC Name
4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-2-hydroxybenzoic acid
Canonical SMILES
C1=CC(=C(C=C1NCC2=C(C(=CC(=C2)Cl)Cl)O)O)C(=O)O
InChI
InChI=1S/C14H11Cl2NO4/c15-8-3-7(13(19)11(16)4-8)6-17-9-1-2-10(14(20)21)12(18)5-9/h1-5,17-19H,6H2,(H,20,21)
InChIKey
RTEYSQSXRFVKTJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44207238
TTD ID
D00SBX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
PSD95-nNOS interaction (PSD95-nNOS PPI) TTMADVT DLG4_HUMAN-NOS1_HUMAN Disrupter [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 PSD95 and nNOS interaction as a novel molecular target to modulate conditioned fear: relevance to PTSD.Transl Psychiatry. 2018 Aug 14;8(1):155.