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]
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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.