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Compound Detail

CHEMBL4460496

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Cc1c(-c2ccccc2)cccc1-n1cc2c(n1)CNCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4460496
Phase Preclinical
Structure Type MOL
InChI Key RITYCXPNFJKAQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
3.49
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N3
MW 289.38
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
30247903 10.1021/acs.jmedchem.8b00990 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1
36126447 10.1016/j.bmc.2022.117001 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine