Details of the Drug

General Information of Drug (ID: DMTKSVO)

Drug Name

T0070907

Synonyms

2-Chloro-5-nitro-N-4-pyridinylbenzamide; 313516-66-4; 2-CHLORO-5-NITRO-N-4-PYRIDINYLBENZAMIDE; 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide; T 0070907; T-0070907; 2-chloro-5-nitro-N-pyridin-4-ylbenzamide; 2-Chloro-5-nitro-N-(4-pyridyl)benzamide; CHEMBL510698; Benzamide, 2-chloro-5-nitro-N-4-pyridinyl-; 2-chloro-5-nitro-n-4-pyridinyl-benzamide; SR-01000392700; AC1MCROG; Oprea1_586106; ZINC3381; GTPL3444; SCHEMBL2128178; CTK6H1028; KS-00000MYU; CHEBI:92553; DTXSID30380504; MolPort-001-763-336; FRPJSHKMZHWJBE-UHFFFAOYSA-N; HMS3268J16; HMS3651P21; HMS3262J21; T 0070907

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)

277.66

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C12H8ClN3O3
IUPAC Name: 2-chloro-5-nitro-N-pyridin-4-ylbenzamide
Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=NC=C2)Cl
InChI: InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
InChIKey: FRPJSHKMZHWJBE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2777391
ChEBI ID: CHEMBL510698
CAS Number: 313516-66-4
TTD ID: D03BPG

Drug-Molecule Activity Atlas (DMA)^NEW

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Drug Pharmacogenomic Perturbation (DPP)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PPAR-gamma messenger RNA (PPARG mRNA)	TTT2SVW	PPARG_HUMAN	Antagonist	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Broad substrate specificity ATP-binding cassette transporter ABCG2 (ABCG2)	OTW8V2V1	ABCG2_HUMAN	Gene/Protein Processing	[3]
CCAAT/enhancer-binding protein alpha (CEBPA)	OTOM9OE4	CEBPA_HUMAN	Gene/Protein Processing	[4]
Chorion-specific transcription factor GCMa (GCM1)	OT5CPAUT	GCM1_HUMAN	Gene/Protein Processing	[3]
Fatty acid-binding protein, adipocyte (FABP4)	OT3DKFOU	FABP4_HUMAN	Gene/Protein Processing	[4]
Lipid transferase CIDEC (CIDEC)	OTMDZ56K	CIDEC_HUMAN	Gene/Protein Processing	[4]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3444).
2	T0070907, a selective ligand for peroxisome proliferator-activated receptor gamma, functions as an antagonist of biochemical and cellular activities. J Biol Chem. 2002 May 31;277(22):19649-57.
3	Regulation of the placental BCRP transporter by PPAR gamma. J Biochem Mol Toxicol. 2017 May;31(5):10.1002/jbt.21880. doi: 10.1002/jbt.21880. Epub 2016 Nov 23.
4	Effects of Perinatal Exposure to Dibutyltin Chloride on Fat and Glucose Metabolism in Mice, and Molecular Mechanisms, in Vitro. Environ Health Perspect. 2018 May 21;126(5):057006. doi: 10.1289/EHP3030. eCollection 2018 May.