Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4789323

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1nn(-c2cc(N[C@H]3CC[C@H](O)CC3)c3c(=O)[nH]c(C(C)(C)C)cc3c2)c2c1C(=O)CC(C)(C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4789323
Phase Preclinical
Structure Type MOL
InChI Key NPIUOSXQRJZWKI-KESTWPANSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
5.19
ALogP
6
HBA
3
HBD
100.0
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38N4O3
MW 490.65
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.71

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