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

CHEMBL2036770

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(Nc1ccccc1Cl)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2036770
Phase Preclinical
Structure Type MOL
InChI Key TWKNCTJLUAFJMA-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.9
MW (Da)
3.36
ALogP
3
HBA
1
HBD
38.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29ClN4O
MW 376.93
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.90

Literature References

PubMed DOI Target Context # Activities
22608963 10.1016/j.bmcl.2012.04.118 C-C chemokine receptor type 2 2
22608963 10.1016/j.bmcl.2012.04.118 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine