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Compound Detail

CHEMBL4249331

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C[C@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc2ccccc12)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4249331
Phase Preclinical
Structure Type MOL
InChI Key LSMKBOZJAWCJNL-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.8
MW (Da)
5.38
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClFN4
MW 356.83
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
30258545 10.1021/acsmedchemlett.8b00296 Son of sevenless homolog 1 2

Data from ChEMBL 36 via Core Engine