Tìm theo
Inhibitor of P38 Kinase
Thuốc Gốc
Small Molecule
CTHH: C15H14N2
PTK: 222.2851
Inhibitor of P38 Kinase is a solid. This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of a pyrrole ring fused to benzene to form 2,3-benzopyrrole. This drug is known to target mitogen-activated protein kinase 14.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H14N2
Phân tử khối
222.2851
Monoisotopic mass
222.115698458
InChI
InChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2
InChI Key
InChIKey=UUEYCHLWAOBOHG-UHFFFAOYSA-N
IUPAC Name
3-[2-(pyridin-4-yl)ethyl]-1H-indole
Traditional IUPAC Name
3-[2-(pyridin-4-yl)ethyl]-1H-indole
SMILES
C(CC1=CC=NC=C1)C1=CNC2=CC=CC=C12
Độ hòa tan
8.69e-03 g/l
logP
3.39
logS
-4.4
pKa (strongest acidic)
17.28
pKa (Strongest Basic)
5.67
PSA
28.68 Å2
Refractivity
69.33 m3·mol-1
Polarizability
25.21 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
1
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01953
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=27934
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506330
ChemSpider
http://www.chemspider.com/Chemical-Structure.25987.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13346
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