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Compound Detail

CHEMBL4517435

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Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1c(N(C)C)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4517435
Phase Preclinical
Structure Type MOL
InChI Key DDGXPKCYJKDUBA-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.49
ALogP
4
HBA
3
HBD
82.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3O2
MW 401.51
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
30453248 10.1016/j.ejmech.2018.11.007 Lymphokine-activated killer T-cell-originated protein kinase 1
30453248 10.1016/j.ejmech.2018.11.007 A549 1
30453248 10.1016/j.ejmech.2018.11.007 HCT-116 1
30453248 10.1016/j.ejmech.2018.11.007 HCT-15 1

Data from ChEMBL 36 via Core Engine