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Compound Detail

CHEMBL1962863

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O=S(=O)(c1ccc2c(c1)O[C@H]1CNCC[C@@H]21)c1ccccc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962863
Phase Preclinical
Structure Type MOL
InChI Key INBPJOAKMDWORO-UNMCSNQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
4.02
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21NO3S
MW 391.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine