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Compound Detail

CHEMBL1181319

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CN1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1

Basic Information

ChEMBL ID CHEMBL1181319
Phase Preclinical
Structure Type MOL
InChI Key QZDNKVRFWDKMFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

644.2
MW (Da)
6.66
ALogP
5
HBA
1
HBD
77.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H34ClN5O3
MW 644.18
Aromatic Rings 5
Heavy Atoms 47
NP-Likeness -1.23

Data from ChEMBL 36 via Core Engine