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

CHEMBL3139334

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
O=C(O)[C@@H]1C[C@H]2C[C@@H](Oc3cc(-c4ccc(Cl)cc4)ccc3-c3nnn[nH]3)CC[C@H]2CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139334
Phase Preclinical
Structure Type MOL
InChI Key MCAQZDVWMTUXCQ-WQDJSCAQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.9
MW (Da)
3.80
ALogP
6
HBA
3
HBD
113.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24ClN5O3
MW 453.93
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.16

Data from ChEMBL 36 via Core Engine