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Compound Detail

CHEMBL5596615

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COC(=O)[C@H](CCCCNC(=O)CN1C(=O)C(=O)c2ccccc21)NC(=O)CN1C(=O)C(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5596615
Phase Preclinical
Structure Type MOL
InChI Key XGVUYAPGFZUZDX-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

534.5
MW (Da)
0.39
ALogP
8
HBA
2
HBD
159.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N4O8
MW 534.53
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
38224754 10.1016/j.bmcl.2024.129613 HuH-1 1
38224754 10.1016/j.bmcl.2024.129613 H22 1
38224754 10.1016/j.bmcl.2024.129613 Huh-7 1
38224754 10.1016/j.bmcl.2024.129613 AML12 1
38224754 10.1016/j.bmcl.2024.129613 Hepa 1-6 1
38224754 10.1016/j.bmcl.2024.129613 HepG2 1
38224754 10.1016/j.bmcl.2024.129613 HuH-6 1
38224754 10.1016/j.bmcl.2024.129613 MHCC97H 1

Data from ChEMBL 36 via Core Engine