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Compound Detail

CHEMBL5282451

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Clc1ccc(C(c2ccc(-c3cn[nH]c3)cc2)N2CCNCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5282451
Phase Preclinical
Structure Type MOL
InChI Key MGYPCCQLBPTNML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.9
MW (Da)
3.72
ALogP
3
HBA
2
HBD
44.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClN4
MW 352.87
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.30

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