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Compound Detail

CHEMBL5918789

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CC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C2CCNCC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5918789
Phase Preclinical
Structure Type MOL
InChI Key NKHVPIDQQICLJH-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
2.23
ALogP
8
HBA
4
HBD
135.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34N8O
MW 438.58
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium/calmodulin-dependent protein kinase type 1D
CHEMBL5073
 IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Calcium/calmodulin-dependent protein kinase type 1D IC50 = 5.0 nM 8.3 Biochemical CaMK1D Enzymatic Activity Assay: The following describes an ADP-Glo ... -

Data from ChEMBL 36 via Core Engine