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Compound Detail

CHEMBL145291

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COC1=CC(=O)c2c(c(CO)c3n2CCC3)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL145291
Phase Preclinical
Structure Type MOL
InChI Key BPHHTRNGCISODF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

247.2
MW (Da)
0.84
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13NO4
MW 247.25
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.10

Literature References

PubMed DOI Target Context # Activities
9822546 10.1021/jm980328r NAD(P)H dehydrogenase [quinone] 1 2
9822546 10.1021/jm980328r NCI-H460 1
9822546 10.1021/jm980328r NCI-H596 1
9822546 10.1021/jm980328r Unchecked 1

Data from ChEMBL 36 via Core Engine