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Compound Detail

CHEMBL5903531

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NC(=O)[C@@H]1CCCN1c1cc2c3c(nc(-c4ccc5oc(N)nc5c4)n3CCCCO2)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5903531
Phase Preclinical
Structure Type MOL
InChI Key XUYWWEHTZFFARG-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
3.19
ALogP
8
HBA
2
HBD
125.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23FN6O3
MW 450.47
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.75

Activity Summary

Ki 1 meas. best 10.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 10.62 10.62 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.024 nM 10.62 TBD: TBD -

Data from ChEMBL 36 via Core Engine