Details of the Drug

General Information of Drug (ID: DMQOW8H)

Drug Name

HO-221

Synonyms

N-(2-Nitrobenzoyl)-N'-[4-(5-bromo-2-pyrimidinyloxy)-3-chlorophenyl]urea; N-[4-(5-Bromo-2-pyrimidinyloxy)-3-chlorophenyl]-N'-(2-nitrobenzoyl)urea

Indication

Disease Entry	ICD 11	Status	REF
Virus infection	1A24-1D9Z	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

492.7

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C18H11BrClN5O5
IUPAC Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]-2-nitrobenzamide
Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl)[N+](=O)[O-]
InChI: InChI=1S/C18H11BrClN5O5/c19-10-8-21-18(22-9-10)30-15-6-5-11(7-13(15)20)23-17(27)24-16(26)12-3-1-2-4-14(12)25(28)29/h1-9H,(H2,23,24,26,27)
InChIKey: WKXWMGOTZJGIIK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA polymerase alpha catalytic p180 (POLA1)	TTGPJ0U	DPOLA_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000797)
2	Effect of novel benzoylphenylurea derivatives on DNA polymerase alpha activity using the synthesome-based in vitro model system. Invest New Drugs. 2003 Nov;21(4):421-8.