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Compound Detail

CHEMBL1185511

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CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185511
Phase Preclinical
Structure Type MOL
InChI Key QFUHLPOACLCLKG-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

633.5
MW (Da)
8.32
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H41Br2N2O2+
MW 633.49
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine