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Compound Detail

CHEMBL5875219

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NCCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2cn[nH]c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5875219
Phase Preclinical
Structure Type MOL
InChI Key AVPPHRGAVXSSMY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
2.82
ALogP
3
HBA
2
HBD
75.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19FN4O
MW 338.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.73

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rho-associated protein kinase 1
CHEMBL3231
 IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rho-associated protein kinase 1 IC50 = 550.0 nM 6.26 In Vitro Effect Assay: Table 2: Inhibitory effect of each compound synthesized a... -

Data from ChEMBL 36 via Core Engine