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Compound Detail

CHEMBL4779239

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O=C(Cc1ccc(C(F)F)cc1)N1CC(CNc2ccc(F)cc2)C2(C1)CN(c1ccc(F)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4779239
Phase Preclinical
Structure Type MOL
InChI Key CLIAABIPYCHQFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
3
Publications
0
Known Names

Molecular Properties

497.5
MW (Da)
5.52
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27F4N3O
MW 497.54
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.90

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.1267 hr Homo sapiens
T1/2 0.1267 hr Rattus norvegicus
T1/2 0.11 hr Mus musculus

Literature References

PubMed DOI Target Context # Activities
33573376 10.1021/acs.jmedchem.1c00034 ADMET 6
33573376 10.1021/acs.jmedchem.1c00034 Plasmodium falciparum 1
33573376 10.1021/acs.jmedchem.1c00034 No relevant target 1

Data from ChEMBL 36 via Core Engine