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Compound Detail

CHEMBL5786997

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CC(C)n1nc(-c2noc(C3CC3)c2-c2c[nH]cn2)c2c(N)nccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5786997
Phase Preclinical
Structure Type MOL
InChI Key AELMDPHIYXONLN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.52
ALogP
7
HBA
2
HBD
111.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N7O
MW 349.40
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
 IC50 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase receptor Ret IC50 = 0.1 nM 10.0 RET Enzyme Assay: The potency of compounds inhibiting several different RET kina... -

Data from ChEMBL 36 via Core Engine