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Compound Detail

CHEMBL5882020

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COCCCc1cnc(Nc2cnc(C#N)cn2)cc1NC[C@H]1CNCCO1

Basic Information

ChEMBL ID CHEMBL5882020
Phase Preclinical
Structure Type MOL
InChI Key UKFMFQUZEVBPRN-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
1.47
ALogP
9
HBA
3
HBD
117.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N7O2
MW 383.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.51

Activity Summary

IC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Chk1
CHEMBL4630
IC50 7.64 7.64 23.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine