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Compound Detail

CHEMBL1373172

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Cc1cccc(N2CCN(C(=O)Cc3c(C(=O)O)[nH]c4ccc(Cl)cc34)CC2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1373172
Phase Preclinical
Structure Type MOL
InChI Key DKPWDKDIPZQOLB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.9
MW (Da)
4.03
ALogP
3
HBA
2
HBD
76.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24ClN3O3
MW 425.92
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.27

Data from ChEMBL 36 via Core Engine