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Compound Detail

CHEMBL4746322

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CC(C)(C)c1ccc(Cn2cc(-c3ccc(O)cc3)nn2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4746322
Phase Preclinical
Structure Type MOL
InChI Key QYFUJHJTPWTUCR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.70
ALogP
5
HBA
2
HBD
71.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3O2
MW 323.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
33543615 10.1021/acs.jmedchem.0c01521 Heat shock protein HSP 90-alpha 1
33543615 10.1021/acs.jmedchem.0c01521 Heat shock protein HSP 90-beta 1
33543615 10.1021/acs.jmedchem.0c01521 CNE-2 1

Data from ChEMBL 36 via Core Engine