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Compound Detail

CHEMBL2171463

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COc1ccc(C2=NN(C(C)C)C(=O)C2(C)C)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171463
Phase Preclinical
Structure Type MOL
InChI Key MQZWLOWOSDAWAW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
2.38
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N2O3
MW 276.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.35

Literature References

PubMed DOI Target Context # Activities
22963052 10.1021/jm301059b MRC5 1
22963052 10.1021/jm301059b Trypanosoma brucei brucei 1
22963052 10.1021/jm301059b Class 1 phosphodiesterase PDEB1 1

Data from ChEMBL 36 via Core Engine