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Compound Detail

CHEMBL3547634

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COc1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CCCCC23CCCCN2CCCC3)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3547634
Phase Preclinical
Structure Type MOL
InChI Key LUMRSOLRPSAZEE-NXKIGICWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

586.8
MW (Da)
7.76
ALogP
7
HBA
1
HBD
67.6
PSA (Ų)
0.14
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H42N6O
MW 586.78
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -0.88

Data from ChEMBL 36 via Core Engine