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Compound Detail

CHEMBL4171046

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Cn1ncc(NC(=O)c2ccccc2Cl)c1C(=O)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4171046
Phase Preclinical
Structure Type MOL
InChI Key BKQJLPRBIWENAY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.8
MW (Da)
2.95
ALogP
4
HBA
1
HBD
67.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19ClN4O2
MW 346.82
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.07

Literature References

PubMed DOI Target Context # Activities
30091915 10.1021/acs.jmedchem.8b00669 Unchecked 1

Data from ChEMBL 36 via Core Engine