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Compound Detail

CHEMBL600803

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CC(C)(C)C(=O)COc1ccc(C[C@@H](NC(=O)C(=O)O)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL600803
Phase Preclinical
Structure Type MOL
InChI Key BXSCSWJGAMTYNZ-GFCCVEGCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
0.88
ALogP
5
HBA
3
HBD
130.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO7
MW 351.36
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.32

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20088513 10.1021/jm901680b Unchecked 4
20088513 10.1021/jm901680b Lysine-specific demethylase 4A 1

Data from ChEMBL 36 via Core Engine