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Compound Detail

CHEMBL5598210

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COC(=O)[C@H](CCCCNC(=O)CN1C(=O)C(=O)c2cc(OC)ccc21)NC(=O)CN1C(=O)C(=O)c2cc(OC)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5598210
Phase Preclinical
Structure Type MOL
InChI Key XBVFNWDGTTZILH-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

594.6
MW (Da)
0.41
ALogP
10
HBA
2
HBD
177.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30N4O10
MW 594.58
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness -0.50

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