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Compound Detail

CHEMBL5914235

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NCCCCCNc1nc(-c2ccncc2)nc2cnccc12

Basic Information

ChEMBL ID CHEMBL5914235
Phase Preclinical
Structure Type MOL
InChI Key CIRBVQGXQHQPPJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
2.63
ALogP
6
HBA
2
HBD
89.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N6
MW 308.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase LATS1
CHEMBL6167
IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine