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Compound Detail

CHEMBL4117347

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O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1cccc(-c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117347
Phase Preclinical
Structure Type MOL
InChI Key FVDJBCOSGCFCMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

498.4
MW (Da)
6.35
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29Cl2N3O2
MW 498.45
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.25

Data from ChEMBL 36 via Core Engine