Details of the Drug

General Information of Drug (ID: DMJXZIS)

Drug Name

LH846

Synonyms

639052-78-1; LH-846; LH 846; N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide; N-(5-Chloro-6-methyl-2-benzothiazolyl)benzeneacetamide; Benzeneacetamide, N-(5-chloro-6-methyl-2-benzothiazolyl)-; N-(5-chloro-6-methylbenzo[d]thiazol-2-yl)-2-phenylacetamide; N-(5-Chloro-6-methyl-benzothiazol-2-yl)-2-phenyl-acetamide; Oprea1_693221; CHEMBL4303305; SCHEMBL18921565; AOB3510; ZINC386312; BCP09669; EX-A2092; 3782AH; MFCD03786038; STK241276; AKOS000461714; CCG-357108; CS-1810; MCULE-4592612500; NCGC00371143-05; AK205552; AS-55880; DA-33437; HY-15704; FT-0768032; ST51028673; AP-970/41681903; N-(5-chloro-6-methylbenzothiazol-2-yl)-2-phenylacetamide

Indication

Disease Entry	ICD 11	Status	REF
Mood disorder	6A60-6E23	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

316.8

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H13ClN2OS
IUPAC Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
Canonical SMILES: CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)CC3=CC=CC=C3
InChI: InChI=1S/C16H13ClN2OS/c1-10-7-14-13(9-12(10)17)18-16(21-14)19-15(20)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKey: DYHAMRNAHTWYKY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 851474
TTD ID: DLKQ59

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Casein kinase 1 (CK1)	TT7OGZP	KC1A_HUMAN ; KC1D_HUMAN ; KC1E_HUMAN ; KC1G1_HUMAN ; KC1G2_HUMAN ; KC1G3_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Circadian rhythm as a therapeutic target. Nat Rev Drug Discov. 2021 Apr;20(4):287-307.
2	A small molecule modulates circadian rhythms through phosphorylation of the period protein. Angew Chem Int Ed Engl. 2011 Nov 4;50(45):10608-11.