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Compound Detail

CHEMBL1906136

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COCCNC(=O)c1ccc(-c2cn[nH]c2)c2ccoc12

Basic Information

ChEMBL ID CHEMBL1906136
Phase Preclinical
Structure Type MOL
InChI Key SXHRZPQVNZBNSJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.20
ALogP
4
HBA
2
HBD
80.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N3O3
MW 285.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.05

Activity Summary

EC50 1 meas. best 4.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 4.95 4.95 11200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 11200.0 nM 4.95 PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... -

Data from ChEMBL 36 via Core Engine