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Compound Detail

CHEMBL5172329

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CC(C)NC[C@@H](C(=O)N1CCN(c2cc[nH]c(=O)c2)CC1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5172329
Phase Preclinical
Structure Type MOL
InChI Key ITGRMINRBIKUOR-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

402.9
MW (Da)
2.46
ALogP
4
HBA
2
HBD
68.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27ClN4O2
MW 402.93
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
35679512 10.1021/acs.jmedchem.2c00527 RAC-alpha serine/threonine-protein kinase 1
35679512 10.1021/acs.jmedchem.2c00527 RAC-beta serine/threonine-protein kinase 1
35679512 10.1021/acs.jmedchem.2c00527 RAC-gamma serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine