3-isobutyl-8-pyrrolidinoxanthine [215]
3-isobutyl-8-pyrrolidinoxanthine
| SMILES |
CC(C)Cn1c(=O)[nH]c(=O)c2[nH]c(N3CCCC3)nc21 |
| InChIKey |
KHQOTPZSYMSVHB-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
5 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
3 |
| Log P |
0.669 |
| Molecular weight (Da) |
277.2 |
| Stereochemistry info |
unspecified |
Bioactivities
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Activity |
Source |
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Gene |
Species |
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Avg |
Max |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
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3-isobutyl-8-pyrrolidinoxanthine
Drug properties
| Molecular type |
Small molecule |
| Physiological/Surrogate |
Surrogate |
| Approved drug |
No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Compound is not listed as a drug.