Details of the Drug

General Information of Drug (ID: DM245AB)

Drug Name
3-Methoxybenzamide
Synonyms
3-Methoxybenzamide; 5813-86-5; m-Methoxybenzamide; m-Anisamide; 3-Methoxy-benzamide; Benzamide, 3-methoxy-; UNII-M8502TLK98; EINECS 227-379-7; NSC 28589; NSC 209527; BRN 2206857; CHEMBL123978; VKPLPDIMEREJJF-UHFFFAOYSA-N; M8502TLK98; 3MB; 3pax; 5-methoxybenzamide; 3-methoxy-benzamid; ACMC-1ASRE; AC1Q5DMC; M-METHOXY BENZAMIDE; bmse000775; 3-Methoxybenzamide, 97%; Oprea1_695428; MLS001066418; 4-10-00-00326 (Beilstein Handbook Reference); cid_98487; SCHEMBL283787; AC1L407F; KS-00000VVU; CTK1H2082; VKPLPDIMEREJJF-UHFFFAOYSA-; DTXSID00206848
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) 151.16
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C8H9NO2
IUPAC Name
3-methoxybenzamide
Canonical SMILES
COC1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey
VKPLPDIMEREJJF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
98487
CAS Number
5813-86-5
DrugBank ID
DB03073
TTD ID
D02MPP

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]
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 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.