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Compound Detail

CHEMBL5182211

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Oc1c(CNCCc2ccccc2)cc(Cl)c2cccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5182211
Phase Preclinical
Structure Type MOL
InChI Key GNAVGBLIGNSHOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

312.8
MW (Da)
3.93
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClN2O
MW 312.80
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
35978701 10.1021/acsmedchemlett.2c00249 Daoy 1
35978701 10.1021/acsmedchemlett.2c00249 A-375 1
35978701 10.1021/acsmedchemlett.2c00249 Unchecked 1

Data from ChEMBL 36 via Core Engine