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

CHEMBL4649393

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
C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccccc24)C3)CC1CCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4649393
Phase Preclinical
Structure Type MOL
InChI Key GFFVWNPNYNHSPJ-BBMPLOMVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

556.7
MW (Da)
3.25
ALogP
8
HBA
1
HBD
85.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H40N6O3
MW 556.71
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
32250617 10.1021/acs.jmedchem.9b02052 GTPase KRas 1

Data from ChEMBL 36 via Core Engine