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Compound Detail

CHEMBL251472

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O=C1NCCc2[nH]c(-c3ccnc(NCC4CCCCC4)n3)cc21

Basic Information

ChEMBL ID CHEMBL251472
Phase Preclinical
Structure Type MOL
InChI Key SOIOQTUYUOPADH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.75
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N5O
MW 325.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
IC50 6.18 6.18 655.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cell division cycle 7-related protein kinase IC50 = 655.0 nM 6.18 Inhibition of human Cdc7 18201066

Literature References

PubMed DOI Target Context # Activities
18201066 10.1021/jm700956r Cell division cycle 7-related protein kinase 1

Data from ChEMBL 36 via Core Engine