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Compound Detail

CHEMBL5924335

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NCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(O)cc1

Basic Information

ChEMBL ID CHEMBL5924335
Phase Preclinical
Structure Type MOL
InChI Key QGOYDZDCRHIHCA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.46
ALogP
4
HBA
4
HBD
104.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O2
MW 322.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 8.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rho-associated protein kinase 1
CHEMBL3231
IC50 8.26 8.26 5.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine