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Compound Detail

CHEMBL288457

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O=C(O)CCSc1ccc(C(=O)Nc2ccc(F)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL288457
Phase Preclinical
Structure Type MOL
InChI Key FUCZJGQXQPJQPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
3.04
ALogP
4
HBA
2
HBD
79.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13FN2O3S
MW 320.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.95

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