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Compound Detail

CHEMBL1199491

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OC(CNc1ccc(Cl)cc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199491
Phase Preclinical
Structure Type MOL
InChI Key UWCWXVUOPMHJCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

514.1
MW (Da)
5.62
ALogP
4
HBA
2
HBD
38.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H34ClF2N3O
MW 514.06
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine