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Compound Detail

CHEMBL4244333

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C[C@@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc2c(N3CCOCC3)cccc12)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4244333
Phase Preclinical
Structure Type MOL
InChI Key INTAIAACRCSJCO-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.9
MW (Da)
5.21
ALogP
6
HBA
2
HBD
62.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25ClFN5O
MW 441.94
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.79

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