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Compound Detail

CHEMBL3199006

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Cc1ccc(CN2CCN(/N=C/c3ccc(O)c(O)c3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3199006
Phase Preclinical
Structure Type MOL
InChI Key RKGDDBZIAUEDAP-DEDYPNTBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.56
ALogP
5
HBA
2
HBD
59.3
PSA (Ų)
0.67
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 C19H23N3O2
MW 325.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.89

Activity Summary

EC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.44 5.44 3640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 3640.0 nM 5.44 PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... -

Data from ChEMBL 36 via Core Engine