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Compound Detail

CHEMBL5778078

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O=C1[C@@H](Oc2ccc(-c3ccccc3)cc2)CCN1c1ccc(OCCN2CCCC2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5778078
Phase Preclinical
Structure Type MOL
InChI Key NSUQNJPJRDHJBW-MHZLTWQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

477.0
MW (Da)
5.67
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29ClN2O3
MW 477.00
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.04

Activity Summary

Ki 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.5 nM 9.3 Radioligand Binding Assay: An in vitro binding assay was used to determine the c... -

Data from ChEMBL 36 via Core Engine