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Compound Detail

CHEMBL98339

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O=C(N[C@H](CO)Cc1ccccc1)c1cc2cc(Cl)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL98339
Phase Preclinical
Structure Type MOL
InChI Key RMGBACQDIOIZHJ-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.8
MW (Da)
3.15
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClN2O2
MW 328.80
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
9685232 10.1021/jm980264k Glycogen phosphorylase, liver form 1

Data from ChEMBL 36 via Core Engine