Details of the Drug

General Information of Drug (ID: DMV0UM2)

Drug Name

FR-73966

Synonyms

FR-73966; CHEMBL279073; BDBM50110568; FR73966; 1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid thiazol-2-ylamide

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)

436.9

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C18H17ClN4O3S2
IUPAC Name: 1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
Canonical SMILES: C1CN(CCC1C(=O)NC2=NC=CS2)C(=O)CN3C4=C(C=CC(=C4)Cl)SC3=O
InChI: InChI=1S/C18H17ClN4O3S2/c19-12-1-2-14-13(9-12)23(18(26)28-14)10-15(24)22-6-3-11(4-7-22)16(25)21-17-20-5-8-27-17/h1-2,5,8-9,11H,3-4,6-7,10H2,(H,20,21,25)
InChIKey: MYSZTUDXDIGAGW-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuropeptide Y receptor type 5 (NPY5R)	TTY6EWA	NPY5R_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
Neuropeptide Y receptor type 5 (NPY5R)	DTT	NPY5R	7.49E-01	1.19E-02	0.03

Molecular Expression Atlas (MEA)

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References

1	Novel potent antagonists of human neuropeptide Y Y5 receptors. Part 3: 7-methoxy-1-hydroxy-1-substituted tetraline derivatives. Bioorg Med Chem Lett. 2002 Mar 11;12(5):799-802.