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Compound Detail

CHEMBL3651285

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Cc1cc(-c2c(Cl)ccc(O)c2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12

Basic Information

ChEMBL ID CHEMBL3651285
Phase Preclinical
Structure Type MOL
InChI Key QDXCEHULBAOSRT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.4
MW (Da)
6.23
ALogP
7
HBA
2
HBD
83.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25Cl2N5O2
MW 510.43
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.16

Activity Summary

IC50 2 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 8.96 8.96 1.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine