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Compound Detail

CHEMBL3545569

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CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545569
Phase Preclinical
Structure Type MOL
InChI Key AOQCCSFIEWPXMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

556.5
MW (Da)
4.32
ALogP
6
HBA
2
HBD
77.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31Cl2N5O3
MW 556.49
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine