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Compound Detail

CHEMBL5923596

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CC(C)NC(=O)c1nc(OC[C@H]2CC2(F)F)nc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1

Basic Information

ChEMBL ID CHEMBL5923596
Phase Preclinical
Structure Type MOL
InChI Key LMVMJBMIYURVEH-GOSISDBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

557.6
MW (Da)
2.72
ALogP
11
HBA
2
HBD
146.2
PSA (Ų)
0.38
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33F2N9O3
MW 557.61
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.92

Activity Summary

Ki 1 meas. best 10.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
Ki 10.82 10.82 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine