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Compound Detail

CHEMBL5568002

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Cc1cc(-c2ccc(OC3CCCCC3)cc2)cc(NCCN(C)C)c1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5568002
Phase Preclinical
Structure Type MOL
InChI Key KZSZIUJABDGSFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
5.22
ALogP
4
HBA
1
HBD
48.3
PSA (Ų)
0.72
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N3O
MW 377.53
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
39012838 10.1021/acs.jmedchem.4c00780 Unchecked 3

Data from ChEMBL 36 via Core Engine