Details of the Drug

General Information of Drug (ID: DMTYGWV)

Drug Name
NSC-639829
Synonyms N-[4-(5-Bromo-2-pyrimidinyloxy)-3-methylphenyl]-N'-[2-(dimethylamino)benzoyl]urea
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 470.3
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H20BrN5O3
IUPAC Name
N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(dimethylamino)benzamide
Canonical SMILES
CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2N(C)C)OC3=NC=C(C=N3)Br
InChI
InChI=1S/C21H20BrN5O3/c1-13-10-15(8-9-18(13)30-21-23-11-14(22)12-24-21)25-20(29)26-19(28)16-6-4-5-7-17(16)27(2)3/h4-12H,1-3H3,(H2,25,26,28,29)
InChIKey
JNGQUJZDVFZPEN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
368697
CAS Number
134742-19-1
TTD ID
D07JAI
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tubulin beta (TUBB) TTYFKSZ NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Phase I Study of Continuous Weekly Dosing of Dimethylamino Benzoylphenylurea (BPU) in Patients with Solid Tumours. Eur J Cancer. 2007 January; 43(1): 78-86.
2 Solubilization of NSC-639829. Int J Pharm. 2001 Aug 28;225(1-2):41-7.