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Compound Detail

CHEMBL1189438

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Cc1cc(OCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189438
Phase Preclinical
Structure Type MOL
InChI Key BROPUBQWSIYKTI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
5.88
ALogP
4
HBA
1
HBD
35.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N2O2
MW 458.65
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine