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Compound Detail

CHEMBL3360598

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O=C(CCNC(=O)c1ccc(-c2ccc(O)c(C(=O)O)c2)s1)Nc1nc(-c2ccccc2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3360598
Phase Preclinical
Structure Type MOL
InChI Key MGZOSGBOCBVCOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
4.70
ALogP
7
HBA
4
HBD
128.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19N3O5S2
MW 493.57
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.49

Literature References

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

Data from ChEMBL 36 via Core Engine