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Compound Detail

CHEMBL5571434

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Cc1cc2c(-c3ccc(NC(=O)[C@H](N)CC(C)(C)C)cc3C)cncc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5571434
Phase Preclinical
Structure Type MOL
InChI Key HHXRZSZBSWPCKL-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
4.55
ALogP
3
HBA
3
HBD
83.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N4O
MW 364.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
38330278 10.1021/acs.jmedchem.3c01807 Citron Rho-interacting kinase 5
- 10.6019/CHEMBL5723584 Citron Rho-interacting kinase 5
38330278 10.1021/acs.jmedchem.3c01807 HeLa 3

Data from ChEMBL 36 via Core Engine