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Compound Detail

CHEMBL4562589

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COC(=O)[C@@H](CO)NCc1cc(C(=O)Nc2cccc(-c3ccccc3)c2C)c2nncn2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4562589
Phase Preclinical
Structure Type MOL
InChI Key RSYHGGFAKDTYDF-JOCHJYFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
2.58
ALogP
8
HBA
3
HBD
117.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N5O4
MW 459.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
30964291 10.1021/acs.jmedchem.9b00312 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine