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Compound Detail

CHEMBL4466516

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Cc1c(NC(=O)c2ccc(CN(C)CCO)n3cnnc23)cccc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4466516
Phase Preclinical
Structure Type MOL
InChI Key DONDKHKQVLURJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
3.38
ALogP
6
HBA
2
HBD
82.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N5O2
MW 415.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.58

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