Details of the Drug

General Information of Drug (ID: DMKFMYR)

Drug Name

CLOTURIN

Synonyms

VUFB-15686; N-(2-Chloroethyl)thiocarbamic acid 6-purinyl ester; (2-Chloroethyl)carbamothioic acid S-1H-purin-6-yl ester; 6-[N-(2-Chloroethyl)carbamoyl]thiopurine

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

257.7

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C8H8ClN5OS
IUPAC Name: S-(7H-purin-6-yl) N-(2-chloroethyl)carbamothioate
Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)SC(=O)NCCCl
InChI: InChI=1S/C8H8ClN5OS/c9-1-2-10-8(15)16-7-5-6(12-3-11-5)13-4-14-7/h3-4H,1-2H2,(H,10,15)(H,11,12,13,14)
InChIKey: OQBORDVFGPUGDV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 128676
CAS Number: 104789-46-0
TTD ID: D0T2EP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA synthesis (DNA synth)	TTUBNVO	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002443)
2	Inhibition of biosynthetic processes in P388 and Ehrlich ascites cells by cloturin. Drugs Exp Clin Res. 1988;14(9):575-80.