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Compound Detail

CHEMBL5190208

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COc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5190208
Phase Preclinical
Structure Type MOL
InChI Key GSCOJMCSKJDTFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
3.67
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O2
MW 388.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.89

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