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Compound Detail

CHEMBL3344138

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COc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3344138
Phase Preclinical
Structure Type MOL
InChI Key XDFVOECRYCSYOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.9
MW (Da)
4.31
ALogP
5
HBA
2
HBD
80.7
PSA (Ų)
0.51
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 C22H21ClN2O4
MW 412.87
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
25304894 10.1016/j.bmcl.2014.09.015 HeLa 1

Data from ChEMBL 36 via Core Engine