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Compound Detail

CHEMBL4206698

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O=C(N1CCN(c2ncnc3[nH]ccc23)CC1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4206698
Phase Preclinical
Structure Type MOL
InChI Key DZZHXMRZBPGSIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.4
MW (Da)
3.23
ALogP
5
HBA
2
HBD
77.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24Cl2N6O
MW 459.38
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
28704757 10.1016/j.ejmech.2017.06.067 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine