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Compound Detail

CHEMBL4597048

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CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597048
Phase Preclinical
Structure Type MOL
InChI Key NRXPFRHREANWEK-NOZRDPDXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.5
MW (Da)
7.08
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33Cl2N3O
MW 510.51
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine