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Compound Detail

CHEMBL4596485

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Cn1cnc(S(=O)(=O)N2CCN(C3(CNC(=O)c4ccc(F)cc4Cl)CCC(F)(F)CC3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596485
Phase Preclinical
Structure Type MOL
InChI Key QCIDEYLDAGNHRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

534.0
MW (Da)
2.90
ALogP
6
HBA
1
HBD
87.5
PSA (Ų)
0.62
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 C22H27ClF3N5O3S
MW 534.00
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.77

Data from ChEMBL 36 via Core Engine