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Compound Detail

CHEMBL5411884

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COc1cccc(CN2C(=O)N(c3ccc(-c4cn[nH]c4)c(OC)c3)CC23CC3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5411884
Phase Preclinical
Structure Type MOL
InChI Key CYLGYDMBDBKVTP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
4.07
ALogP
4
HBA
1
HBD
70.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O3
MW 404.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
36940432 10.1021/acs.jmedchem.2c01753 Rho-associated protein kinase 2 1

Data from ChEMBL 36 via Core Engine