Details of the Drug

General Information of Drug (ID: DMJ36YH)

Drug Name

ACE-011

Synonyms

116496-76-5; 4-Acetamido-3-ethoxynitrobenzene; N-(2-ethoxy-4-nitrophenyl)acetamide; Acetamide,N-(2-ethoxy-4-nitrophenyl)-; 2'-ETHOXY-4'-NITROACETANILIDE; CDS1_004703; AC1MEGDI; ACMC-20c3rb; CBMicro_030367; 2-Ethoxy-4-nitroacetanilide; Oprea1_342150; DivK1c_005743; ACE011; SCHEMBL2204761; KS-00002AMW; CTK4A9819; DTXSID60387001; XZWVZJDHIDYKPB-UHFFFAOYSA-N; MolPort-000-279-575; ZX-AT005552; ZINC5061120; OR9529; AKOS001044796; PS-6223; VZ36467; MCULE-3006561606; AB07920; AS02565; KB-71958; CC-31292; AJ-53053; Acetamide, N-(2-ethoxy-4-nitrop

Indication

Disease Entry	ICD 11	Status	REF
Anemia	3A00-3A9Z	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

224.21

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H12N2O4
IUPAC Name: N-(2-ethoxy-4-nitrophenyl)acetamide
Canonical SMILES: CCOC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C
InChI: InChI=1S/C10H12N2O4/c1-3-16-10-6-8(12(14)15)4-5-9(10)11-7(2)13/h4-6H,3H2,1-2H3,(H,11,13)
InChIKey: XZWVZJDHIDYKPB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2877953
CAS Number: 116496-76-5
TTD ID: D0F7GX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transforming growth factor beta (TGFB)	TTO3HT7	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of Acceleron Pharma (2011).