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Compound Detail

CHEMBL4639107

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Cc1c(-c2ccccc2)cccc1-c1cn2nc(CNCCO)cnc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4639107
Phase Preclinical
Structure Type MOL
InChI Key SIYAOZFRXTVXSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
2.85
ALogP
6
HBA
2
HBD
75.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N5O
MW 359.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
30384043 10.1016/j.ejmech.2018.10.044 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