Details of the Drug

General Information of Drug (ID: DMTPD4R)

Drug Name

1-(4-Bromo-benzyl)-3-quinazolin-8-yl-urea

Synonyms

quinazoline deriv., 20b; CHEMBL175831; BDBM20420

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

357.2

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H13BrN4O
IUPAC Name: 1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea
Canonical SMILES: C1=CC2=CN=CN=C2C(=C1)NC(=O)NCC3=CC=C(C=C3)Br
InChI: InChI=1S/C16H13BrN4O/c17-13-6-4-11(5-7-13)8-19-16(22)21-14-3-1-2-12-9-18-10-20-15(12)14/h1-7,9-10H,8H2,(H2,19,21,22)
InChIKey: HUPXBWYDCNIXNH-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Novel transient receptor potential vanilloid 1 receptor antagonists for the treatment of pain: structure-activity relationships for ureas with quin... J Med Chem. 2005 Feb 10;48(3):744-52.