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Compound Detail

CHEMBL5072551

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CP(C)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5072551
Phase Preclinical
Structure Type MOL
InChI Key XFCPDMOQQLVDNZ-OAHLLOKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
2.59
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27F2N2O4PS
MW 448.47
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
35167303 10.1021/acs.jmedchem.1c01934 MIA PaCa-2 1
35167303 10.1021/acs.jmedchem.1c01934 BXPC-3 1

Data from ChEMBL 36 via Core Engine