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Compound Detail

CHEMBL5778697

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CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCc3cocn3)cn2)C1

Basic Information

ChEMBL ID CHEMBL5778697
Phase Preclinical
Structure Type MOL
InChI Key OOTIKMQKFAHKMR-GOSISDBHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
2.84
ALogP
8
HBA
1
HBD
102.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N5O4
MW 423.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.22

Activity Summary

IC50 2 meas. best 7.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Diacylglycerol O-acyltransferase 2
CHEMBL5853
IC50 7.95 7.95 11.2 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine