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Compound Detail

CHEMBL4804027

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CC1(C)C(Cc2c(Cl)cccc2Cl)C(=[N+]2CCCC2)C=CN1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4804027
Phase Preclinical
Structure Type MOL
InChI Key JWPKYAOFBBRUNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
6.21
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29Cl2N2+
MW 428.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine