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Compound Detail

CHEMBL3922150

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COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccc3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3922150
Phase Preclinical
Structure Type MOL
InChI Key PRFWBAVJZPTKCH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.1
MW (Da)
5.20
ALogP
5
HBA
2
HBD
72.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35ClN4O2
MW 483.06
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.36

Activity Summary

IC50 1 meas.

Data from ChEMBL 36 via Core Engine