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Compound Detail

CHEMBL5851751

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CCCCCCCCCCCCCCCCOCCCOP1(=O)COC(Cn2ccc(N)nc2=O)CO1

Basic Information

ChEMBL ID CHEMBL5851751
Phase Preclinical
Structure Type MOL
InChI Key SLYMJSGMJWGMJB-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

543.7
MW (Da)
6.30
ALogP
9
HBA
1
HBD
114.9
PSA (Ų)
0.13
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H50N3O6P
MW 543.69
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness -0.03

Activity Summary

EC50 4 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Capsid scaffolding protein
CHEMBL3771
EC50 9.3 9.3 0.5 1
HIV-1 protease
CHEMBL4296312
EC50 7.52 7.52 30.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
EC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine