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Compound Detail

CHEMBL1186684

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N[C@@H](CC(=O)N1CCCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1)Cc1cc(F)c(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186684
Phase Preclinical
Structure Type MOL
InChI Key QEXWCDAVOLDJFT-MRXNPFEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.5
MW (Da)
1.99
ALogP
5
HBA
2
HBD
121.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24F3N3O5S
MW 499.51
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.48

Data from ChEMBL 36 via Core Engine