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Compound Detail

CHEMBL224077

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Fc1ccc(CN2CCC(CNc3ccc4[nH]ncc4c3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224077
Phase Preclinical
Structure Type MOL
InChI Key NTKPSOZHWAVEKO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
4.03
ALogP
3
HBA
2
HBD
44.0
PSA (Ų)
0.74
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 C20H23FN4
MW 338.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
17046269 10.1016/j.bmc.2006.09.052 Rho-associated protein kinase 1
17046269 10.1016/j.bmc.2006.09.052 C-C chemokine receptor type 2 1

Data from ChEMBL 36 via Core Engine