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Compound Detail

CHEMBL382906

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O=C1OC(=O)c2c1c1ccccc1c1[nH]c3ccccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382906
Phase Preclinical
Structure Type MOL
InChI Key LTEFJCVLQMPXQD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
3.78
ALogP
3
HBA
1
HBD
59.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H9NO3
MW 287.27
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness 0.68

Literature References

PubMed DOI Target Context # Activities
16420063 10.1021/jm050945x Unchecked 2
16420063 10.1021/jm050945x CCRF-CEM 1
16420063 10.1021/jm050945x CEM/C2 1
16420063 10.1021/jm050945x Cyclin-dependent kinase 5/CDK5 activator 1 1
16420063 10.1021/jm050945x Glycogen synthase kinase-3 1

Data from ChEMBL 36 via Core Engine