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Compound Detail

CHEMBL409465

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COc1cc(C(=O)c2sc(-c3ccc(-c4ccccc4)cc3)cc2N)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL409465
Phase Preclinical
Structure Type MOL
InChI Key ZLHOMDZEAGXPHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
5.92
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23NO4S
MW 445.54
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
17034150 10.1021/jm060804a L1210 1
17034150 10.1021/jm060804a FM3A 1
17034150 10.1021/jm060804a MOLT-4 1
17034150 10.1021/jm060804a CCRF-CEM 1

Data from ChEMBL 36 via Core Engine