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Compound Detail

CHEMBL5291437

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Cc1c(-c2ccccc2)cccc1-c1nc2c(Cl)cc(CNCCO)cn2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5291437
Phase Preclinical
Structure Type MOL
InChI Key OXAGCXMTQTZVJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.9
MW (Da)
4.11
ALogP
5
HBA
2
HBD
62.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21ClN4O
MW 392.89
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
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