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Compound Detail

CHEMBL5170330

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CC(C)COc1nc(Oc2ccccc2)ccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5170330
Phase Preclinical
Structure Type MOL
InChI Key JCNHZDPJQCVZKQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
3.61
ALogP
4
HBA
1
HBD
68.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO4
MW 287.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.84

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
33333396 10.1016/j.ejmech.2020.113038 MCL1-BAK1 complex 1

Data from ChEMBL 36 via Core Engine