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

CHEMBL4531827

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
CC(C)C/C=C/C(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4531827
Phase Preclinical
Structure Type MOL
InChI Key HIAXZCQQMOCVFJ-XHLFLETQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

532.6
MW (Da)
7.24
ALogP
6
HBA
3
HBD
100.3
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H32N4O3
MW 532.64
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
31560541 10.1021/acs.jmedchem.9b00722 Epidermal growth factor receptor 2
31560541 10.1021/acs.jmedchem.9b00722 NCI-H1975 1
31560541 10.1021/acs.jmedchem.9b00722 HCC827 1

Data from ChEMBL 36 via Core Engine