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Compound Detail

CHEMBL1195516

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CN1C2CCC1CC(OC(=O)n1c(=O)[nH]c3cc(Cl)ccc31)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195516
Phase Preclinical
Structure Type MOL
InChI Key FKIRGFXYRHEVRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.8
MW (Da)
2.59
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18ClN3O3
MW 335.79
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.19

Data from ChEMBL 36 via Core Engine