Details of the Drug

General Information of Drug (ID: DMRDQ1B)

Drug Name
N-(2-aminophenyl)nicotinamide
Synonyms
N-(2-Amino-phenyl)-nicotinamide; 436089-31-5; N-(2-aminophenyl)nicotinamide; N-(2-aminophenyl)pyridine-3-carboxamide; CHEMBL236678; AC1LMN6K; SCHEMBL18086514; CTK4I7538; DTXSID50360661; CHEBI:125506; ZINC873967; BDBM50220259; 3463AE; AKOS000129725; RTR-042156; MCULE-7933541910; N-(2-aminophenyl)-3-pyridylcarboxamide; ZB014940; ACM436089315; ST086607; ASN 01337807; KB-298440; TR-042156; BC4148434; SR-01000329900; SR-01000329900-1; BRD-K20880473-001-04-6
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) 213.23
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H11N3O
IUPAC Name
N-(2-aminophenyl)pyridine-3-carboxamide
Canonical SMILES
C1=CC=C(C(=C1)N)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C12H11N3O/c13-10-5-1-2-6-11(10)15-12(16)9-4-3-7-14-8-9/h1-8H,13H2,(H,15,16)
InChIKey
CEZRXCCXPZWXNX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1133083
ChEBI ID
CHEBI:125506
CAS Number
436089-31-5
TTD ID
D04UVL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase (HDAC) TTBH0VX NOUNIPROTAC Inhibitor [1]
Histone deacetylase 1 (HDAC1) TT6R7JZ HDAC1_HUMAN Inhibitor [1]
Histone deacetylase 2 (HDAC2) TTSHTOI HDAC2_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 Bioorg Med Chem Lett. 2008 Dec 1;18(23):6104-9. Epub 2008 Oct 14.SAR profiles of spirocyclic nicotinamide derived selective HDAC1/HDAC2 inhibitors (SHI-1:2).