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Compound Detail

CHEMBL4637935

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CC(=O)N1CCN(Cc2ccc3oc(-c4cccc(-c5ccccc5)c4)cc(=O)c3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4637935
Phase Preclinical
Structure Type MOL
InChI Key RYMBONHQPVFNSG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
4.79
ALogP
4
HBA
0
HBD
53.8
PSA (Ų)
0.46
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 C28H26N2O3
MW 438.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
32667799 10.1021/acs.jmedchem.0c00574 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine