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Compound Detail

CHEMBL5977891

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N#Cc1cnc(Nc2cc(-c3ccc(N4CCNCC4)cc3O)[nH]n2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5977891
Phase Preclinical
Structure Type MOL
InChI Key DCOCPWPWGIXMTG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
1.60
ALogP
8
HBA
4
HBD
125.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N8O
MW 362.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 10.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Chk1
CHEMBL4630
 IC50 10.27 10.27 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase Chk1 IC50 = 0.054 nM 10.27 Kinase Inhibiting Activity Assay: Chk-1 Kinase Inhibiting ActivityThe compounds ... -

Data from ChEMBL 36 via Core Engine