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Compound Detail

CHEMBL4636289

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Cc1c(-c2ccccc2)cccc1-c1nc2c(s1)CNCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4636289
Phase Preclinical
Structure Type MOL
InChI Key DISXBCWMOVBSKF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
4.43
ALogP
3
HBA
1
HBD
24.9
PSA (Ų)
0.76
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 C19H18N2S
MW 306.43
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
30384043 10.1016/j.ejmech.2018.10.044 Programmed cell death 1 ligand 1 1
34055224 10.1021/acsmedchemlett.1c00033 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