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Compound Detail

CHEMBL496756

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Cc1nc(-c2ccc(-c3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)cc2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496756
Phase Preclinical
Structure Type MOL
InChI Key TXQQSEBGLCKSLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
5.02
ALogP
6
HBA
1
HBD
74.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N5O2
MW 481.60
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
18789685 10.1016/j.bmcl.2008.08.051 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine