General Information of the Compound
| Compound ID |
CP0268684
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| Compound Name |
(2S,8R)-2-(5-ethylthiophen-2-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
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| Structure |
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| Formula |
C21H21N3O2S
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| Molecular Weight |
379.485
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| Canonical SMILES |
CCc1ccc(s1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(C)CC2=O
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| InChI |
InChI=1S/C21H21N3O2S/c1-3-12-8-9-17(27-12)20-19-14(13-6-4-5-7-15(13)22-19)10-16-21(26)23(2)11-18(25)24(16)20/h4-9,16,20,22H,3,10-11H2,1-2H3/t16-,20-/m1/s1
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| InChIKey |
WNVDDMMDUVNDAO-OXQOHEQNSA-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: PT01479, 3',5'-cyclic-AMP phosphodiesterase 4A
Protein ID: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase
Protein ID: PT01730, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
Protein ID: PT01176, cGMP-specific 3',5'-cyclic phosphodiesterase
Protein ID: PT03334, Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
Protein ID: PT02504, Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
Protein ID: PT01726, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A
Protein ID: PT02393, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
Protein ID: PT03075, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A