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Compound Detail

CHEMBL1972462

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CCCCC#Cc1ccc(CN2CC(C(=O)O)C2)cc1

Basic Information

ChEMBL ID CHEMBL1972462
Phase Preclinical
Structure Type MOL
InChI Key OHRHYISISMGRCN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
2.74
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.66
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 C17H21NO2
MW 271.36
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.55

Activity Summary

Ki 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activated CDC42 kinase 1
CHEMBL4599
Ki 6.5 6.5 316.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Activated CDC42 kinase 1 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine