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Compound Detail

CHEMBL1761139

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Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(CCCC(C)(F)F)(CC1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1761139
Phase Preclinical
Structure Type MOL
InChI Key RJDVDAPIQXMABK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
3
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
6.92
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.46
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 C23H28F5N3
MW 441.49
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.30

Pharmacokinetic Data

Parameter Value Units Species
AUC 1.1 uM.hr.Kg/mg Mus musculus
CL 14.0 mL.min-1.kg-1 Mus musculus
F 36.0 % Mus musculus

Literature References

PubMed DOI Target Context # Activities
21421311 10.1016/j.bmcl.2011.01.018 Mus musculus 5
21421311 10.1016/j.bmcl.2011.01.018 11-beta-hydroxysteroid dehydrogenase 1 2
21421311 10.1016/j.bmcl.2011.01.018 11-beta-hydroxysteroid dehydrogenase type 2 2

Data from ChEMBL 36 via Core Engine