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Compound Detail

CHEMBL1802275

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COc1cccc2nc(C)c(C)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1802275
Phase Preclinical
Structure Type MOL
InChI Key FQZTVKOSTVLKRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

188.2
MW (Da)
2.26
ALogP
3
HBA
0
HBD
35.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N2O
MW 188.23
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
21105712 10.1021/jm1011066 Ribosyldihydronicotinamide dehydrogenase [quinone] 2
21105712 10.1021/jm1011066 NAD(P)H dehydrogenase [quinone] 1 1
21105712 10.1021/jm1011066 Unchecked 1
21105712 10.1021/jm1011066 RAW264.7 1

Data from ChEMBL 36 via Core Engine