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Compound Detail

CHEMBL5952704

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O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5952704
Phase Preclinical
Structure Type MOL
InChI Key LVOVERFNXBXWBA-QFIPXVFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
3.29
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N4O3
MW 444.54
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.06

Activity Summary

Ki 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.8 nM 9.1 Radioligand Binding Assay: An in vitro binding assay was used to determine the c... -

Data from ChEMBL 36 via Core Engine