Details of the Drug

General Information of Drug (ID: DM7V2OM)

Drug Name
D-3263
Synonyms
TDBTU; 125700-69-8; N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate; O-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; MFCD00077730; AK170015; o-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-n,n,n',n'-tetramethyluroniumtetrafluoroborate; 1,1,3,3-tetramethyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)uronium tetrafluoroborate; TDBTU; N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 373.5
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H31N3O3
IUPAC Name
3-(2-aminoethyl)-5-methoxy-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]benzimidazol-2-one
Canonical SMILES
C[C@@H]1CC[C@H]([C@@H](C1)C(=O)N2C3=C(C=C(C=C3)OC)N(C2=O)CCN)C(C)C
InChI
InChI=1S/C21H31N3O3/c1-13(2)16-7-5-14(3)11-17(16)20(25)24-18-8-6-15(27-4)12-19(18)23(10-9-22)21(24)26/h6,8,12-14,16-17H,5,7,9-11,22H2,1-4H3/t14-,16+,17-/m1/s1
InChIKey
ZGTYTFYRCIRWBL-HYVNUMGLSA-N
Cross-matching ID
PubChem CID
44137358
ChEBI ID
CHEMBL5266982
CAS Number
947257-66-1
TTD ID
D04FKX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Long transient receptor potential channel 8 (TRPM8) TTXDKTO TRPM8_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00839631) Dose Escalation Study of EC D-3263 HCl in Advanced Solid Tumors. U.S. National Institutes of Health.
2 Best of the 2009 AUA Annual Meeting: Highlights from the 2009 Annual Meeting of the American Urological Association, April 25-30, 2009, Chicago, IL. Rev Urol. 2009 Spring; 11(2): 82-107.