General Information of Drug (ID: DM4OQRD)

Drug Name
HIF-1alpha
Synonyms
Unii-NA856793UT; 192705-79-6; PD-166866; PD166866; PD 166866; UNII-NA856793UT; CHEMBL299763; NA856793UT; 1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea; 1-(2-Amino-6-(3,5-dimethoxyphenyl)-pyrido(2,3-d)pyrimidin-7-yl)-3-tert-butyl urea; Urea,N-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)-; 1-[2-Amino-6-(3,5-dimethoxyphenyl)-pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butyl urea; 6-arylpyrido[2,3-d]pyrimidine deriv 25; AC1NS3U5; SCHEMBL1248489; BDBM3443; CTK4E1060
Indication
Disease Entry ICD 11 Status REF
Lymphoma 2A80-2A86 Phase 4 [1]
Therapeutic Class
Anticancer Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 396.4
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C20H24N6O3
IUPAC Name
1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
Canonical SMILES
CC(C)(C)NC(=O)NC1=C(C=C2C=NC(=NC2=N1)N)C3=CC(=CC(=C3)OC)OC
InChI
InChI=1S/C20H24N6O3/c1-20(2,3)26-19(27)25-17-15(8-12-10-22-18(21)24-16(12)23-17)11-6-13(28-4)9-14(7-11)29-5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27)
InChIKey
NHJSWORVNIOXIT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5328127
ChEBI ID
CHEBI:156259
CAS Number
192705-79-6
TTD ID
D0B0AX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fibroblast growth factor receptor (FGFR) TT0LF7H NOUNIPROTAC Antagonist [2]
Hypoxia-inducible factor 1 alpha (HIF-1A) TTQHWNA HIF1A_HUMAN Inhibitor [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Fibroblast growth factor receptor 1 (FGFR1) OT4GLCXW FGFR1_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00880672) Effect of Dutasteride on HIF-1alpha and VEGF in the Prostate. U.S. National Institutes of Health.
2 Tumor angiogenesis as a therapeutic target. Drug Discov Today. 2001 Oct 1;6(19):1005-1024.
3 A RNA antagonist of hypoxia-inducible factor-1alpha, EZN-2968, inhibits tumor cell growth. Mol Cancer Ther. 2008 Nov;7(11):3598-608.
4 Essential role of fibroblast growth factor signaling in preadipoctye differentiation. J Clin Endocrinol Metab. 2005 Feb;90(2):1226-32. doi: 10.1210/jc.2004-1309. Epub 2004 Nov 2.