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Compound Detail

CHEMBL4249825

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

Basic Information

ChEMBL ID CHEMBL4249825
Phase Preclinical
Structure Type MOL
InChI Key GRVVQFVPRMQJDS-GFCCVEGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.9
MW (Da)
4.78
ALogP
6
HBA
4
HBD
82.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23ClFN5O
MW 415.90
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.56

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