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Compound Detail

CHEMBL5575085

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Oc1cc(O)c(-c2cncn2-c2ccc(Cl)cc2)cc1CC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5575085
Phase Preclinical
Structure Type MOL
InChI Key CLRGTEJXJMUMJX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

382.9
MW (Da)
5.73
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN2O2
MW 382.89
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
38788300 10.1016/j.ejmech.2024.116505 Heat shock protein HSP 90-alpha 1
38788300 10.1016/j.ejmech.2024.116505 Unchecked 1
38788300 10.1016/j.ejmech.2024.116505 Heat shock protein HSP 90-beta 1

Data from ChEMBL 36 via Core Engine