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

CHEMBL1185276

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
CCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(C)cc1c2C[n+]1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185276
Phase Preclinical
Structure Type MOL
InChI Key XMQSVZAKATXMQM-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

512.5
MW (Da)
2.81
ALogP
7
HBA
2
HBD
122.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H26N3O6+
MW 512.54
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness 0.54

Data from ChEMBL 36 via Core Engine