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Compound Detail

CHEMBL3800702

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CNCC(=O)N1CCC2(CCN(c3nccc(NCc4ccc(Cl)cc4Cl)n3)CC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3800702
Phase Preclinical
Structure Type MOL
InChI Key PQGJDMNKUWQRPP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

463.4
MW (Da)
3.43
ALogP
6
HBA
2
HBD
73.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28Cl2N6O
MW 463.41
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.61

Data from ChEMBL 36 via Core Engine