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Compound Detail

CHEMBL1187785

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Cc1cccc(C2CN(C)CCc3c2cc(O)c(O)c3-c2ccc3ccccc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187785
Phase Preclinical
Structure Type MOL
InChI Key XAPOTBPYCJLOQK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
5.85
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27NO2
MW 409.53
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness 0.26

Data from ChEMBL 36 via Core Engine