Details of the Drug

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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEMBL299763
CAS Number: 192705-79-6
TTD ID: D0B0AX

Drug-Molecule Activity Atlas (DMA)^NEW

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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]

Molecular Interaction Atlas (MIA)

MIA Detail

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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.