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Compound Detail

CHEMBL5427097

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COc1cccc(CN2CCN(c3ccc4c(c3)CCc3n[nH]cc3-4)C2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5427097
Phase Preclinical
Structure Type MOL
InChI Key RVWQJPOZGRDNEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.63
ALogP
3
HBA
1
HBD
61.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O2
MW 374.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
36940432 10.1021/acs.jmedchem.2c01753 Rho-associated protein kinase 2 1

Data from ChEMBL 36 via Core Engine