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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.