Details of the Drug

General Information of Drug (ID: DM4NY58)

Drug Name
SB-623
Synonyms (E)-3-[1-(2-diethylaminoethyl)-2-phenethylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular ischaemia 8B1Z Phase 2 [1]
Ischemic stroke 8B11.5Z Phase 2 [2]
Stroke 8B20 Phase 2 [3]
Traumatic brain injury NA07.Z Phase 2 [3]
Therapeutic Class
Anticancer Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 406.5
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C24H30N4O2
IUPAC Name
(E)-3-[1-[2-(diethylamino)ethyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
Canonical SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)/C=C/C(=O)NO)N=C1CCC3=CC=CC=C3
InChI
InChI=1S/C24H30N4O2/c1-3-27(4-2)16-17-28-22-13-10-20(12-15-24(29)26-30)18-21(22)25-23(28)14-11-19-8-6-5-7-9-19/h5-10,12-13,15,18,30H,3-4,11,14,16-17H2,1-2H3,(H,26,29)/b15-12+
InChIKey
FFXUDLUXUIJFSS-NTCAYCPXSA-N
Cross-matching ID
PubChem CID
6918876
ChEBI ID
CHEMBL491491
TTD ID
D0VE1W
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase 1 (HDAC1) TT6R7JZ HDAC1_HUMAN Inhibitor [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cerebrovascular ischaemia
ICD Disease Classification 8B1Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histone deacetylase 1 (HDAC1) DTT HDAC1 6.27E-01 0.11 0.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02448641) Study of Modified Stem Cells (SB623) in Patients With Chronic Motor Deficit From Ischemic Stroke. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Histone deacetylase inhibitors in cancer therapy: latest developments, trends and medicinal chemistry perspective. Anticancer Agents Med Chem. 2007 Sep;7(5):576-92.