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Compound Detail

CHEMBL4639528

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CC(=O)N1CCN(Cc2ccc(O)c(C(=O)/C=C/c3cccc(-c4ccc5c(c4)OCCO5)c3C)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4639528
Phase Preclinical
Structure Type MOL
InChI Key LJJXQSLFWWKJQH-JXMROGBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

512.6
MW (Da)
4.70
ALogP
6
HBA
1
HBD
79.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H32N2O5
MW 512.61
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.53

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