Details of the Drug

General Information of Drug (ID: DM7P3IZ)

Drug Name
3-aminobenzamide
Synonyms
3-Aminobenzamide; 3544-24-9; m-Aminobenzamide; Benzamide, 3-amino-; 3-Amino-benzamide; Benzamide, m-amino-; meta-aminobenzamide; 3-ABA; 3-Aminobenzimide; 3-amino benzamide; aniline-3-carboxamide; 3-aminobenzoic acid amide; UNII-8J365YF1YH; CCRIS 3925; EINECS 222-586-9; NSC 36962; BRN 2802373; PARP Inhibitor I, 3-ABA; 3-H2NC6H4CONH2; CHEMBL81977; 3-AB; 8J365YF1YH; CHEBI:64042; GSCPDZHWVNUUFI-UHFFFAOYSA-N; MFCD00007989; 3-Aminobenzamide, 98%; SR-01000075657; HSDB 7581; 3-azanylbenzamide; m-amino benzamide; 4pml; 3-Aminobenzaminde
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) 136.15
Logarithm of the Partition Coefficient (xlogp) -0.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C7H8N2O
IUPAC Name
3-aminobenzamide
Canonical SMILES
C1=CC(=CC(=C1)N)C(=O)N
InChI
InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKey
GSCPDZHWVNUUFI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1645
ChEBI ID
CHEMBL81977
CAS Number
3544-24-9
TTD ID
D0K2PD
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
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
Poly [ADP-ribose] polymerase 1 (PARP1) TTVDSZ0 PARP1_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Catenin beta-1 (CTNNB1) OTZ932A3 CTNB1_HUMAN Gene/Protein Processing [2]
Chimeric ERCC6-PGBD3 protein (ERCC6) OT2QZKSF ERPG3_HUMAN Drug Response [3]
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Gene/Protein Processing [2]
DNA excision repair protein ERCC-1 (ERCC1) OTNPYQHI ERCC1_HUMAN Gene/Protein Processing [4]
DNA repair endonuclease XPF (ERCC4) OTFIOPG1 XPF_HUMAN Gene/Protein Processing [4]
Myc proto-oncogene protein (MYC) OTPV5LUK MYC_HUMAN Gene/Protein Processing [2]
Osteocalcin (BGLAP) OTK1YLWQ OSTCN_HUMAN Gene/Protein Processing [2]
Poly polymerase 2 (PARP2) OTYL81ZI PARP2_HUMAN Drug Response [5]
Transcription factor Jun (JUN) OTCYBO6X JUN_HUMAN Gene/Protein Processing [2]
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
Poly [ADP-ribose] polymerase 1 (PARP1) DTT PARP1 5.01E-05 1.02 2.68
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Diabetic endothelial dysfunction: the role of poly(ADP-ribose) polymerase activation. Nat Med. 2001 Jan;7(1):108-13.
2 Differentiative pathway activated by 3-aminobenzamide, an inhibitor of PARP, in human osteosarcoma MG-63 cells. FEBS Lett. 2005 Jan 31;579(3):615-20. doi: 10.1016/j.febslet.2004.12.028.
3 A high-fat diet and NAD(+) activate Sirt1 to rescue premature aging in cockayne syndrome. Cell Metab. 2014 Nov 4;20(5):840-855. doi: 10.1016/j.cmet.2014.10.005. Epub 2014 Nov 4.
4 Genotoxic stress and activation of novel DNA repair enzymes in human endothelial cells and in the retinas and kidneys of streptozotocin diabetic rats. Diabetes Metab Res Rev. 2012 May;28(4):329-37. doi: 10.1002/dmrr.2279.
5 Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888. Biochemistry. 2010 Feb 16;49(6):1056-8. doi: 10.1021/bi902079y.