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Compound Detail

CHEMBL1779837

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O=C(NCc1cccc(O)c1)Nc1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1779837
Phase Preclinical
Structure Type MOL
InChI Key BNDDYOAVOXATGW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
2.85
ALogP
2
HBA
3
HBD
61.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13FN2O2
MW 260.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.66

Pharmacokinetic Data

Parameter Value Units Species
AUC - - Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
21531136 10.1016/j.bmcl.2011.04.013 Transient receptor potential cation channel subfamily V member 1 2
21531136 10.1016/j.bmcl.2011.04.013 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine