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Compound Detail

CHEMBL211093

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Cl.Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCn1ccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL211093
Phase Preclinical
Structure Type MOL
InChI Key UOIRIBZSXNPSRL-MGXPCBRFSA-N
Parent Compound CHEMBL213401
Active Moiety CHEMBL213401
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

450.3
MW (Da)
4.39
ALogP
6
HBA
2
HBD
87.8
PSA (Ų)
0.35
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 C21H17BrClN5O2
MW 486.76
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
16854069 10.1021/jm060314i SH-SY5Y 1
16854069 10.1021/jm060314i Glycogen synthase kinase-3 1
16854069 10.1021/jm060314i Cyclin-dependent kinase 5/CDK5 activator 1 1
16854069 10.1021/jm060314i Unchecked 1

Data from ChEMBL 36 via Core Engine