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Compound Detail

CHEMBL4595054

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CCS(=O)(=O)N1CCN(C2(CNC(=O)c3c(N)cccc3Cl)CCCCC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595054
Phase Preclinical
Structure Type MOL
InChI Key XLPLEAILERYARF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.0
MW (Da)
2.32
ALogP
5
HBA
2
HBD
95.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31ClN4O3S
MW 443.01
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -1.55

Data from ChEMBL 36 via Core Engine