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Compound Detail

CHEMBL5558481

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COc1ccc2c(c1)C(=O)C=C(NCCCC(=O)Nc1ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5558481
Phase Preclinical
Structure Type MOL
InChI Key SCPQDAAQAVQCCJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

699.2
MW (Da)
5.70
ALogP
8
HBA
3
HBD
133.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H35ClN4O6S
MW 699.23
Aromatic Rings 4
Heavy Atoms 49
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
38593589 10.1016/j.ejmech.2024.116387 HT-1080 1

Data from ChEMBL 36 via Core Engine