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Compound Detail

CHEMBL98214

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CC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C(C)(C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL98214
Phase Preclinical
Structure Type MOL
InChI Key RCLXAPJEFHPYEG-MSOLQXFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.03
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.83
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 C20H20FNO4
MW 357.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
10021946 10.1016/s0960-894x(98)00728-8 5-hydroxytryptamine receptor 1D 2
10021946 10.1016/s0960-894x(98)00728-8 Rattus norvegicus 1
8917640 10.1021/jm960535w SB-204269 binding site 1
8917640 10.1021/jm960535w Mus musculus 1

Data from ChEMBL 36 via Core Engine