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Compound Detail

CHEMBL5972512

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O=C(NCC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccccc2C1)N1CCOCC1

Basic Information

ChEMBL ID CHEMBL5972512
Phase Preclinical
Structure Type MOL
InChI Key GGEAQTBYMLHRNH-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.6
MW (Da)
3.70
ALogP
4
HBA
2
HBD
83.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27N5O2
MW 453.55
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.01

Activity Summary

IC50 3 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 5.7 5.7 2000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine