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Compound Detail

CHEMBL3187975

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CC(C)(C)OC(=O)N1CCN(c2cc(NC(=O)c3ccccc3)ncn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3187975
Phase Preclinical
Structure Type MOL
InChI Key OJHTZMGLYXZHIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
2.79
ALogP
6
HBA
1
HBD
87.7
PSA (Ų)
0.88
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 C20H25N5O3
MW 383.45
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.78

Data from ChEMBL 36 via Core Engine