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Compound Detail

CHEMBL225226

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O=C(Nc1ccc2[nH]ncc2c1)NC1CCN(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225226
Phase Preclinical
Structure Type MOL
InChI Key PHSYFFYDHRPOPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.35
ALogP
3
HBA
3
HBD
73.0
PSA (Ų)
0.68
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 C20H23N5O
MW 349.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.09

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