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Compound Detail

CHEMBL4597776

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Cn1cc(S(=O)(=O)N2CCN(C3(CNC(=O)c4c(Cl)cccc4Cl)CCC(F)(F)CC3)CC2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597776
Phase Preclinical
Structure Type MOL
InChI Key XMYIXZIYSGYNPL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

551.5
MW (Da)
2.81
ALogP
7
HBA
1
HBD
100.4
PSA (Ų)
0.59
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26Cl2F2N6O3S
MW 551.45
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.62

Data from ChEMBL 36 via Core Engine