Details of the Drug

General Information of Drug (ID: DMT7JUC)

Drug Name
N-(2-aminophenyl)-4-(chroman-3-ylmethyl)benzamide
Synonyms CHEMBL238569; N-(2-aminophenyl)-4-(chroman-3-ylmethyl)benzamide; SCHEMBL1064835
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 358.4
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C23H22N2O2
IUPAC Name
N-(2-aminophenyl)-4-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
Canonical SMILES
C1C(COC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N
InChI
InChI=1S/C23H22N2O2/c24-20-6-2-3-7-21(20)25-23(26)18-11-9-16(10-12-18)13-17-14-19-5-1-4-8-22(19)27-15-17/h1-12,17H,13-15,24H2,(H,25,26)
InChIKey
COJSUOYKFQWDMR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9924962
TTD ID
D0P1RQ

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 [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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 N-(2-Amino-phenyl)-4-(heteroarylmethyl)-benzamides as new histone deacetylase inhibitors. Bioorg Med Chem Lett. 2007 Dec 15;17(24):6729-33.