TALAROZOLE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: XKD9N5CJ6W

Structure
InChI Key SNFYYXUGUBUECJ-UHFFFAOYSA-N
Smile CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
InChI
InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23N5S
Molecular Weight 377.52
AlogP 5.66
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 55.63
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cytochrome P450 26A1 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 26 Cytochrome P450 family 26A Cytochrome P450 26A1
- 5 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 26
- 1 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 2 D011565 ClinicalTrials
Acne Vulgaris 2 D000152 ClinicalTrials
Inflammation 1 D007249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 201410-53-9
ChEBI 102167
ChEMBL CHEMBL459505
DrugBank DB13083
FDA SRS XKD9N5CJ6W
PubChem 9799888
SureChEMBL SCHEMBL721201
CONTENTS