TOCLADESINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: BQ94Z7E5OR

Structure
InChI Key CLLFEJLEDNXZNR-UUOKFMHZSA-N
Smile Nc1ncnc2c1nc(Cl)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O
InChI
InChI=1S/C10H11ClN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/t3-,5-,6-,9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11ClN5O6P
Molecular Weight 363.65
AlogP -0.16
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 154.84
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A
- 22000-59000 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B
- 22000-59000 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4C
- 22000-59000 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- 22000-59000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Myeloma 2 D009101 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 41941-56-4
ChEMBL CHEMBL2107085
DrugBank DB13046
FDA SRS BQ94Z7E5OR
PubChem 100299
SureChEMBL SCHEMBL125595
ZINC ZINC000004214493
CONTENTS