Details of the Drug

General Information of Drug (ID: DMXMZRE)

Drug Name

3-(4-bromophenyl)-1,1-dimethylthiourea

Synonyms

3-(4-bromophenyl)-1,1-dimethylthiourea; CHEMBL249923; 75105-07-6; 3-(p-Bromophenyl)-1,1-dimethylthiourea; AC1NT9ZG; CTK2G1172; DTXSID30418775; YZPBPTSRPUXFGV-UHFFFAOYSA-N; STL265123; BDBM50223160; AKOS023092916; AKOS009470673; MCULE-1938000461; 1-(4-Bromophenyl)-3,3-dimethylthiourea; N'-(4-Bromophenyl)-N,N-dimethylthiourea #; Thiourea, N'-(4-bromophenyl)-N,N-dimethyl-

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)

259.17

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C9H11BrN2S
IUPAC Name: 3-(4-bromophenyl)-1,1-dimethylthiourea
Canonical SMILES: CN(C)C(=S)NC1=CC=C(C=C1)Br
InChI: InChI=1S/C9H11BrN2S/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKey: YZPBPTSRPUXFGV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5376123
CAS Number: 75105-07-6
TTD ID: D0RL0F

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Urease (Bact ureC)	TTAS2UO	URE1_KLEAE	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Facile one-pot synthesis of thio and selenourea derivatives: a new class of potent urease inhibitors. Bioorg Med Chem Lett. 2007 Nov 15;17(22):6387-91.