Details of the Drug

General Information of Drug (ID: DMDM85L)

Drug Name
RH 1
Synonyms RH-1
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Phase 1 [1]
Therapeutic Class
Anticancer Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 234.25
Logarithm of the Partition Coefficient (xlogp) 0.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C12H14N2O3
IUPAC Name
2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione
Canonical SMILES
CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3
InChI
InChI=1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3
InChIKey
JKDLOGLNPDVUCX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
394347
CAS Number
221635-42-3
DrugBank ID
DB04090
TTD ID
D00JJW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human Deoxyribonucleic acid (hDNA) TTUTN1I NOUNIPROTAC Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Dissecting the role of multiple reductases in bioactivation and cytotoxicity of the antitumor agent RH1