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Compound Detail

CHEMBL1185248

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C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185248
Phase Preclinical
Structure Type MOL
InChI Key ZGTHDDFDSOWJNW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

549.8
MW (Da)
6.18
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.21
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H45N2O2+
MW 549.78
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine