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Compound Detail

CHEMBL5807498

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O=C(NCc1ccc(Cl)cc1)N1CCN(c2ncnc3[nH]c(C4CC4)cc23)CC1

Basic Information

ChEMBL ID CHEMBL5807498
Phase Preclinical
Structure Type MOL
InChI Key BAGBCLDRCLIKNS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.9
MW (Da)
3.52
ALogP
4
HBA
2
HBD
77.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23ClN6O
MW 410.91
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.59

Activity Summary

Ki 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
Ki 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine