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Compound Detail

CHEMBL5278094

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CNC[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5278094
Phase Preclinical
Structure Type MOL
InChI Key IVDLDHJBOWQROZ-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.8
MW (Da)
4.08
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18ClN3
MW 311.82
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
26486225 10.1021/acs.jmedchem.5b00683 Rho-associated protein kinase 2 1

Data from ChEMBL 36 via Core Engine