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Compound Detail

CHEMBL3360599

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O=C(CCCCNC(=O)c1ccc(-c2ccc(O)c(C(=O)O)c2)s1)Nc1ccc(N2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3360599
Phase Preclinical
Structure Type MOL
InChI Key BSYLSNMIIUHBNB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

523.6
MW (Da)
4.19
ALogP
7
HBA
4
HBD
128.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N3O6S
MW 523.61
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
25468042 10.1016/j.bmc.2014.10.042 Unchecked 1

Data from ChEMBL 36 via Core Engine