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Compound Detail

CHEMBL36797

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CNC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL36797
Phase Preclinical
Structure Type MOL
InChI Key CMJLWQOAJCZRBP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
1.60
ALogP
4
HBA
2
HBD
80.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14FN3O3
MW 303.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.37

Literature References

PubMed DOI Target Context # Activities
12031332 10.1016/s0960-894x(02)00188-9 Interleukin-8 receptors, CXCR1/CXCR2 1
12031332 10.1016/s0960-894x(02)00188-9 Unchecked 1

Data from ChEMBL 36 via Core Engine