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Compound Detail

CHEMBL5416032

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COc1ccc([C@H]2[C@H](CNC(=O)CCC(=O)NO)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5416032
Phase Preclinical
Structure Type MOL
InChI Key QFRNWTLAQSGFQY-NYHFZMIOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

503.5
MW (Da)
1.53
ALogP
9
HBA
4
HBD
155.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N3O9
MW 503.51
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
37563016 10.1016/j.bmc.2023.117437 BE(2)-C 1
37563016 10.1016/j.bmc.2023.117437 A549 1
37563016 10.1016/j.bmc.2023.117437 U-87 MG 1
37563016 10.1016/j.bmc.2023.117437 HCT-116 1

Data from ChEMBL 36 via Core Engine