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Compound Detail

CHEMBL5988901

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COCC1(Nc2ccc3c(c2)CC(CN)(c2cccc(-c4ncnc5[nH]ccc45)c2)C3)CC1

Basic Information

ChEMBL ID CHEMBL5988901
Phase Preclinical
Structure Type MOL
InChI Key CTOZBQGAMTXQNC-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.6
MW (Da)
4.21
ALogP
5
HBA
3
HBD
88.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N5O
MW 439.56
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.21

Activity Summary

IC50 6 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
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 5.7 5.7 2000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine