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Compound Detail

CHEMBL4779897

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CC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1CC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4779897
Phase Preclinical
Structure Type MOL
InChI Key ZRXQOYICJUSPRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
6
Publications
0
Known Names

Molecular Properties

347.3
MW (Da)
1.88
ALogP
3
HBA
1
HBD
83.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13F4N3O3
MW 347.27
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.38

Pharmacokinetic Data

Parameter Value Units Species
CL 7.0 mL.min-1.g-1 Homo sapiens
CL 7.0 mL.min-1.g-1 Mus musculus

Literature References

PubMed DOI Target Context # Activities
27933964 10.1021/acs.jmedchem.6b01410 No relevant target 3
27933964 10.1021/acs.jmedchem.6b01410 ADMET 2
27933964 10.1021/acs.jmedchem.6b01410 Albumin 1
27933964 10.1021/acs.jmedchem.6b01410 Androgen receptor 1
27933964 10.1021/acs.jmedchem.6b01410 Schistosoma mansoni 1
27933964 10.1021/acs.jmedchem.6b01410 L6 1

Data from ChEMBL 36 via Core Engine