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Compound Detail

CHEMBL4744768

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CCCC1Cc2cc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc(N3CCC(O)CC3)c2C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4744768
Phase Preclinical
Structure Type MOL
InChI Key HZFRPINRGHBYHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
3.75
ALogP
6
HBA
2
HBD
87.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36N4O3
MW 464.61
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
33428418 10.1021/acs.jmedchem.0c01700 Heat shock protein HSP 90-beta 1
33428418 10.1021/acs.jmedchem.0c01700 Heat shock protein HSP 90-alpha 1

Data from ChEMBL 36 via Core Engine