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Compound Detail

CHEMBL5563325

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COc1cc(N(Cc2cccnc2)C(=O)Cn2cc(CSc3nc4ccccc4s3)nn2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5563325
Phase Preclinical
Structure Type MOL
InChI Key LYBCRQCUKSBBFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

562.7
MW (Da)
4.83
ALogP
11
HBA
0
HBD
104.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N6O4S2
MW 562.68
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -2.05

Literature References

PubMed DOI Target Context # Activities
38181651 10.1016/j.ejmech.2023.116118 MGC-803 1
38181651 10.1016/j.ejmech.2023.116118 KYSE-30 1
38181651 10.1016/j.ejmech.2023.116118 HCT-116 1

Data from ChEMBL 36 via Core Engine