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Compound Detail

CHEMBL4641851

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CCP(=O)(OC1CC1)c1ccc2nc(-c3cccc(C(F)(F)F)c3)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4641851
Phase Preclinical
Structure Type MOL
InChI Key HSFLHQVBPLWDDY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

395.3
MW (Da)
5.62
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17F3NO3P
MW 395.32
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.05

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.3 hr Mus musculus

Literature References

PubMed DOI Target Context # Activities
32551645 10.1021/acs.jmedchem.0c00807 ADMET 3
32551645 10.1021/acs.jmedchem.0c00807 Utrophin 1
32551645 10.1021/acs.jmedchem.0c00807 No relevant target 1

Data from ChEMBL 36 via Core Engine