Details of the Drug

General Information of Drug (ID: DM5XCRQ)

Drug Name

R552

Synonyms

2-(Methylthio)thiazole; 5053-24-7; 2-Methylthiothiazole; 2-methylthio thiazole; 2-Methylthio-1,3-thiazole; Thiazole, 2-(methylthio)-; 2-methylsulfanyl-1,3-thiazole; 2-(methylsulfanyl)-1,3-thiazole; MFCD00858981; ACMC-209knn; 2-(methylthio) thiazole; 2-methylsulfanyl-thiazole; 2-(Methylmercapto)thiazole; 2-Methylthiothiazole, 97%; C4H5NS2; SCHEMBL496215; DTXSID60375024; ZINC2570798; ANW-31041; AKOS006223218; GS-6827; FT-0658231; M1712; A828155; Q-100565

Indication

Disease Entry	ICD 11	Status	REF
Nervous system paraneoplastic or autoimmune disorders	8E4A.1	Phase 1	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

131.2

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C4H5NS2
IUPAC Name: 2-methylsulfanyl-1,3-thiazole
Canonical SMILES: CSC1=NC=CS1
InChI: InChI=1S/C4H5NS2/c1-6-4-5-2-3-7-4/h2-3H,1H3
InChIKey: VQNOAXZUEKPSJC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2760100
CAS Number: 5053-24-7
TTD ID: D9FT0A

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Receptor-interacting protein 1 (RIPK1)	TTAIQSN	RIPK1_HUMAN	Inhibitor	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of Rigel.
2	Receptor-interacting protein kinase 1 (RIPK1) as a therapeutic target. Nat Rev Drug Discov. 2020 Aug;19(8):553-571.