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Compound Detail

CHEMBL5874757

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CC(C)(C)c1ccc(CC(=O)Nc2ccnc(C(=O)NC3CCCC[C@@H]3O)c2)cc1O

Basic Information

ChEMBL ID CHEMBL5874757
Phase Preclinical
Structure Type MOL
InChI Key FDPYPICKNADJGC-IJHRGXPZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
3.30
ALogP
5
HBA
4
HBD
111.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N3O4
MW 425.53
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.69

Activity Summary

EC50 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Anoctamin-1
CHEMBL2046267
EC50 7.3 7.3 50.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine