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Compound Detail

CHEMBL470527

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CCOC(=O)C[C@@H]1C[C@H](n2cc(-c3ccc(O)cc3)c3c(N)ncnc32)CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470527
Phase Preclinical
Structure Type MOL
InChI Key SFUOPNLOTSTSRR-KBPBESRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
2.24
ALogP
8
HBA
3
HBD
115.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O3
MW 381.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.18

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase Src IC50 = 5.012 nM 8.3 Inhibition of c-Src 18722033

Literature References

PubMed DOI Target Context # Activities
18722033 10.1016/j.ejmech.2008.07.002 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine