General Information of the Compound
| Compound ID |
CP0176796
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| Compound Name |
1-(2,6-dichloropyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea
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| Synonyms |
1-(1,3-Dimethyl-4-isopropyl)-1H-pyrazolo[3,4-b]pyridin-6-yl)-4-(3,5-dichloro-4-pyridinyl)-semicarbazide
1-(2,6-dichloropyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea
383150-41-2
AOB1935
C17H19Cl2N7O
CHEBI:92763
CHEMBL1368758
CTK8F0047
DTXSID60436982
GTPL2917
HMS3650O12
JTE-013
Jte 013
N-(2,6-dichloropyridin-4-yl)-2-(4-isopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl)hydrazinecarboxamide
S1P2 Receptor Antagonist, JTE-013
SCHEMBL5911940
SYN5010
pyrazolopyridine analog
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| Structure |
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| Formula |
C17H19Cl2N7O
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| Molecular Weight |
408.293
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| Canonical SMILES |
CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(C)nc(C)c12
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| InChI |
InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)
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| InChIKey |
RNSLRQNDXRSASX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Clinical Information about the Compound