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Compound Detail

CHEMBL167038

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COc1ccc(-c2nc3c(C(=O)NCCN(C)C)cccc3[nH]2)c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL167038
Phase Preclinical
Structure Type MOL
InChI Key IKRDJDBCQUTOOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
2.55
ALogP
6
HBA
2
HBD
88.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N4O4
MW 398.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine