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Compound Detail

CHEMBL1865562

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O=C(NCc1ccccc1)c1ccc(-c2cn[nH]c2)c2ccoc12

Basic Information

ChEMBL ID CHEMBL1865562
Phase Preclinical
Structure Type MOL
InChI Key KRYLRIYURYRPCB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
3.75
ALogP
3
HBA
2
HBD
70.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N3O2
MW 317.35
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.98

Activity Summary

EC50 1 meas. best 5.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.91 5.91 1220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 1220.0 nM 5.91 PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... -

Data from ChEMBL 36 via Core Engine