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Compound Detail

CHEMBL5169986

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COc1ccccc1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5169986
Phase Preclinical
Structure Type MOL
InChI Key JYUDYLYIMJBLIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
3.36
ALogP
6
HBA
2
HBD
95.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N4O4
MW 446.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
36382923 10.1021/acs.jmedchem.2c01350 L3.6pl 3
36382923 10.1021/acs.jmedchem.2c01350 CHO-K1 2
36382923 10.1021/acs.jmedchem.2c01350 Unchecked 2

Data from ChEMBL 36 via Core Engine