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Compound Detail

CHEMBL6011509

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O=c1cc(C2CCNCC2)n2nc3c(Br)cncc3c2[nH]1

Basic Information

ChEMBL ID CHEMBL6011509
Phase Preclinical
Structure Type MOL
InChI Key DMNCQTDNJQKQQV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.2
MW (Da)
1.80
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14BrN5O
MW 348.20
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.56

Activity Summary

IC50 2 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.89 7.89 13.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine