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Compound Detail

CHEMBL3040212

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CC(C)NC(=N)c1ccc(-c2cccc(-c3ccc(C(=N)NC(C)C)cc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040212
Phase Preclinical
Structure Type MOL
InChI Key OWCLCVHGZVSQQP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.6
MW (Da)
5.67
ALogP
2
HBA
4
HBD
71.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N4
MW 398.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine