Gdc-0425
PubChem CID
58266779
Structure
Molecular Formula
Synonyms
- GDC-0425
- 1200129-48-1
- RG-7602
- 5-((1-Ethyl-4-piperidinyl)oxy)-9H-pyrrolo(2,3-b:5,4-c')dipyridine-6-carbonitrile
- 4N173XZ7SX
Molecular Weight
321.4 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2012-08-19
- Modify:2025-01-18
Description
GDC-0425 is under investigation in clinical trial NCT01359696 (A Study Evaluating the Safety, Tolerability, and Pharmacokinetics of GDC-0425 Administered With and Without Gemcitabine in Patients With Refractory Solid Tumors or Lymphoma).
Chk1 Inhibitor GDC-0425 is an orally bioavailable inhibitor of checkpoint kinase 1 (chk1), with potential antineoplastic and chemosensitization activities. Upon oral administration, chk1 inhibitor GDC-0425 selectively binds to chk1, thereby preventing activity of chk1 and abrogating the repair of damaged DNA. This may lead to an accumulation of damaged DNA, inhibition of cell cycle arrest, and induction of apoptosis. GDC-0425 may potentiate the cytotoxicity of DNA-damaging agents and reverse tumor cell resistance to chemotherapeutic agents. Chk1, an ATP-dependent serine/threonine kinase, mediates cell cycle checkpoint control, is essential for DNA repair, and plays a key role in resistance to chemotherapeutic agents.
RG-7602 is a small molecule drug with a maximum clinical trial phase of I and has 1 investigational indication.
Chemical Structure Depiction
3-(1-ethylpiperidin-4-yl)oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C18H19N5O/c1-2-23-8-5-12(6-9-23)24-17-14(10-19)21-11-15-16(17)13-4-3-7-20-18(13)22-15/h3-4,7,11-12H,2,5-6,8-9H2,1H3,(H,20,22)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
XEZLBMHDUXSICI-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CCN1CCC(CC1)OC2=C3C4=C(NC3=CN=C2C#N)N=CC=C4
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C18H19N5O
Computed by PubChem 2.2 (PubChem release 2024.11.20)
1627539-18-7
GDC-0425
- GDC-0425
- 1200129-48-1
- RG-7602
- 5-((1-Ethyl-4-piperidinyl)oxy)-9H-pyrrolo(2,3-b:5,4-c')dipyridine-6-carbonitrile
- 4N173XZ7SX
- 3-(1-ethylpiperidin-4-yl)oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
- UNII-4N173XZ7SX
- 9H-Pyrrolo(2,3-b:5,4-c')dipyridine-6-carbonitrile, 5-((1-ethyl-4-piperidinyl)oxy)-
- 1627539-18-7
- 3-((1-ethylpiperidin-4-yl)oxy)-5,8,10-triazatricyclo(7.4.0.0^(2,7))trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
- 3-[(1-ethylpiperidin-4-yl)oxy]-5,8,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
- Chk1 Inhibitor GDC-0425
- CHEMBL5314388
- SCHEMBL12666573
- GDC0425
- NSC791163
- RG7602
- DB14791
- NSC-791163
- SB19115
- DA-63721
- HY-19926
- MS-24755
- CS-0016930
- E77319
- 3-[(1-ethylpiperidin-4-yl)oxy]-5,8,10-triazatricyclo[7.4.0.0(2),]trideca-1(13),2,4,6,9,11-hexaene-4-carbonitrile
- 3-[(1-ethylpiperidin-4-yl)oxy]-5,8,10-triazatricyclo[7.4.0.0,trideca-1(13),2,4,6,9,11-hexaene-4-carbonitrile
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
321.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
2.6
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
321.15896025 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
321.15896025 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
77.8 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
24
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
483
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
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- Metabolomics Workbench
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