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Compound Detail

CHEMBL1374061

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CCOc1nc(N=C(N)N)nc2c(C)cccc12

Basic Information

ChEMBL ID CHEMBL1374061
Phase Preclinical
Structure Type MOL
InChI Key FIIINVTXWYOJPG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
1.24
ALogP
4
HBA
2
HBD
99.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N5O
MW 245.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL4117
IC50 5.13 5.13 7380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N IC50 = 7380.0 nM 5.13 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... -

Data from ChEMBL 36 via Core Engine