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Compound Detail

CHEMBL1189128

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CC(=N)N1CCC(Oc2ccc(N(Cc3nc4cc(C(=N)N)ccc4n3CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)c3ccc(C(=O)O)cc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189128
Phase Preclinical
Structure Type MOL
InChI Key VVPFNZPWNRMYKV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

755.7
MW (Da)
6.65
ALogP
8
HBA
5
HBD
190.7
PSA (Ų)
0.07
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H36Cl2N8O5
MW 755.66
Aromatic Rings 5
Heavy Atoms 53
NP-Likeness -1.41

Data from ChEMBL 36 via Core Engine