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Compound Detail

CHEMBL3545561

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O=C(NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545561
Phase Preclinical
Structure Type MOL
InChI Key HUAUVHYOLGBGMR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

638.6
MW (Da)
9.01
ALogP
5
HBA
3
HBD
78.9
PSA (Ų)
0.14
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H37Cl2N5O
MW 638.64
Aromatic Rings 5
Heavy Atoms 45
NP-Likeness -0.84

Data from ChEMBL 36 via Core Engine