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Compound Detail

CHEMBL2177386

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CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2C(C)(C)CC3)CC1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2177386
Phase Preclinical
Structure Type MOL
InChI Key HJJMYXRGMOJLSQ-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

456.0
MW (Da)
3.78
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34ClN5O
MW 456.03
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
22934575 10.1021/jm301024w RAC-alpha serine/threonine-protein kinase 2
22934575 10.1021/jm301024w Unchecked 1
22934575 10.1021/jm301024w RAC-beta serine/threonine-protein kinase 1
22934575 10.1021/jm301024w RAC-gamma serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine