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Compound Detail

CHEMBL4540054

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COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cc(C)nc(C)c3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4540054
Phase Preclinical
Structure Type MOL
InChI Key WBQCULFFYOARKU-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
4.87
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N2O2
MW 360.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
30384606 10.1021/acs.jmedchem.8b01098 Rho-associated protein kinase 1 1
30384606 10.1021/acs.jmedchem.8b01098 Rho-associated protein kinase 2 1
30384606 10.1021/acs.jmedchem.8b01098 Unchecked 1

Data from ChEMBL 36 via Core Engine