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Compound Detail

CHEMBL224167

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c1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224167
Phase Preclinical
Structure Type MOL
InChI Key PGKHHJWFDIGZCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
2.97
ALogP
3
HBA
3
HBD
59.7
PSA (Ų)
0.69
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 C17H21N5
MW 295.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.77

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