General Information of Drug (ID: DMK7BND)

Drug Name
Briciclib
Synonyms
Briciclib; 865783-99-9; ON-014185; UNII-WG93X96336; WG93X96336; ON 014185; Briciclib [USAN:INN]; Briciclib (USAN/INN); Briciclib; ON 014185; SCHEMBL1634579; SCHEMBL1634581; CHEMBL1206245; MolPort-046-033-539; LXENKEWVEVKKGV-BQYQJAHWSA-N; EX-A2492; BCP17292; ZINC28965775; AKOS027439966; DB12004; CS-5589; HY-16366; KB-79924; Briciclib(ON 013105 ON 014185); ON-013105; D10614; (2-methoxy-5-{[(E)-2-(2,4,6-trimethoxyphenyl)ethenesulfonyl]methyl}phenoxy)phosphonic acid; (e)-5-((2,4,6-trimethoxystyrylsulfonyl)methyl)-2-methoxyphenyl dihydro
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) 474.4
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C19H23O10PS
IUPAC Name
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] dihydrogen phosphate
Canonical SMILES
COC1=C(C=C(C=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)OP(=O)(O)O
InChI
InChI=1S/C19H23O10PS/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22/h5-11H,12H2,1-4H3,(H2,20,21,22)/b8-7+
InChIKey
LXENKEWVEVKKGV-BQYQJAHWSA-N
Cross-matching ID
PubChem CID
11248490
CAS Number
865783-99-9
DrugBank ID
DB12004
TTD ID
D0T0KT
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
G1/S-specific cyclin-D1 (CCND1) TTFCJ7S CCND1_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02168725) Dose-escalation, Safety and Pharmacokinetic Study of Briciclib in Advanced Solid Tumors. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of Onconova.