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Compound Detail

CHEMBL5198826

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O=C(c1ccc(CNCCO)cc1)N1CCc2c(-c3ccncc3)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5198826
Phase Preclinical
Structure Type MOL
InChI Key SPDSJGMLXZNCKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
3.03
ALogP
4
HBA
2
HBD
65.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N3O2
MW 373.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
35231577 10.1016/j.bmcl.2022.128647 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine