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Compound Detail

CHEMBL5956283

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Cc1ccc(C(=O)N2CCn3c(nnc3-c3ccccn3)C2)cc1

Basic Information

ChEMBL ID CHEMBL5956283
Phase Preclinical
Structure Type MOL
InChI Key HBPDICROTJJCKI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
2.30
ALogP
5
HBA
0
HBD
63.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N5O
MW 319.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.91

Activity Summary

Ki 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuromedin-K receptor
CHEMBL4429
Ki 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuromedin-K receptor Ki = 3000.0 nM 5.52 3H-SB222200 Binding Competition Assay with Human NK-3 Receptor: The ability of t... -

Data from ChEMBL 36 via Core Engine