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Compound Detail

CHEMBL1189529

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O=C(NCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189529
Phase Preclinical
Structure Type MOL
InChI Key DYQPWUWERYOCLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

695.7
MW (Da)
10.53
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H44Cl2N4O2
MW 695.73
Aromatic Rings 5
Heavy Atoms 49
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine