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Compound Detail

CHEMBL4636342

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N#Cc1c(-c2ccc3c(c2)OCCO3)cccc1N1CCC(N[C@H]2C[C@@H](O)C2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4636342
Phase Preclinical
Structure Type MOL
InChI Key GDSCQNIOXNHQHS-KDURUIRLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
3.08
ALogP
6
HBA
2
HBD
77.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O3
MW 405.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
30384043 10.1016/j.ejmech.2018.10.044 Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine