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Compound Detail

CHEMBL600193

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O=C(O)C(=O)N[C@H](Cc1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL600193
Phase Preclinical
Structure Type MOL
InChI Key OPZUVYWAOXCPBR-QGZVFWFLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.4
MW (Da)
0.95
ALogP
6
HBA
3
HBD
150.3
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O8
MW 440.41
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.53

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