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Compound Detail

CHEMBL3601309

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CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(-c4ccccc4)n[nH]c3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3601309
Phase Preclinical
Structure Type MOL
InChI Key MTIGDZMXGQUPQH-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
3.30
ALogP
6
HBA
4
HBD
116.3
PSA (Ų)
0.27
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N4O4S
MW 466.56
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
26125514 10.1021/acs.jmedchem.5b00638 Beta-3 adrenergic receptor 2
26125514 10.1021/acs.jmedchem.5b00638 Alpha-1A adrenergic receptor 2

Data from ChEMBL 36 via Core Engine