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Compound Detail

CHEMBL5835846

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CN1CCCN(C(=O)c2ccc(OCC#Cc3cnc(C(=O)NCC(=O)O)c(O)c3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5835846
Phase Preclinical
Structure Type MOL
InChI Key ZKASDKQYRUINBK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
0.81
ALogP
7
HBA
3
HBD
132.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N4O6
MW 466.49
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 6.16 6.16 690.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 690.0 nM 6.16 EGLN-1 Activity Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined usi... -

Data from ChEMBL 36 via Core Engine