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Compound Detail

CHEMBL5187340

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COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCC2CCNCC2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5187340
Phase Preclinical
Structure Type MOL
InChI Key XJXDSLJECXYDEY-GXFZAZKKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

717.7
MW (Da)
7.00
ALogP
6
HBA
5
HBD
111.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H44Cl2F2N4O4
MW 717.68
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness -0.52

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
35420431 10.1021/acs.jmedchem.2c00095 Unchecked 1
35420431 10.1021/acs.jmedchem.2c00095 E3 ubiquitin-protein ligase Mdm2 1

Data from ChEMBL 36 via Core Engine