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Compound Detail

CHEMBL3577879

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C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)Cc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577879
Phase Preclinical
Structure Type MOL
InChI Key CQNVMTPBMZUDDB-MRXNPFEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.9
MW (Da)
5.51
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21ClFNO3
MW 425.89
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
25893043 10.1021/ml500479v Transient receptor potential cation channel subfamily M member 8 1

Data from ChEMBL 36 via Core Engine