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Compound Detail

CHEMBL3210158

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CCCCN(CC)CC/N=c1/c(N2CCN(C(=O)OCC)CC2)c(O)c1=O

Basic Information

ChEMBL ID CHEMBL3210158
Phase Preclinical
Structure Type MOL
InChI Key VFCFYLLZBNXFNE-HKWRFOASSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
0.93
ALogP
7
HBA
1
HBD
85.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H32N4O4
MW 380.49
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 6.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 6.36 6.36 433.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine