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Compound Detail

CHEMBL5812011

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CCCCNc1ncc2c(C3CC4CCC(C3)N4)cn([C@H]3CC[C@H](O)CC3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5812011
Phase Preclinical
Structure Type MOL
InChI Key OLDPEEJQAOJKDS-NQWRDQKCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.6
MW (Da)
4.12
ALogP
6
HBA
3
HBD
75.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H35N5O
MW 397.57
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.18

Activity Summary

IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
 IC50 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase Mer IC50 = 750.0 nM 6.12 Activity Assay: Activity Against Mer Tyrosine Kinase. -

Data from ChEMBL 36 via Core Engine