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Compound Detail

CHEMBL4059730

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COc1cc(N(C)c2nc(Cl)nc3ncccc23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4059730
Phase Preclinical
Structure Type MOL
InChI Key SMANSIVUPAQZLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
12
Publications
0
Known Names

Molecular Properties

360.8
MW (Da)
3.47
ALogP
7
HBA
0
HBD
69.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClN4O3
MW 360.80
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.65

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Homo sapiens

Literature References

PubMed DOI Target Context # Activities
29406710 10.1021/acs.jmedchem.7b01858 A-375 1
29406710 10.1021/acs.jmedchem.7b01858 M14 1
29406710 10.1021/acs.jmedchem.7b01858 RPMI-7951 1
29406710 10.1021/acs.jmedchem.7b01858 Liver 1
34406768 10.1021/acs.jmedchem.1c01202 A-375 1
34406768 10.1021/acs.jmedchem.1c01202 M14 1
34406768 10.1021/acs.jmedchem.1c01202 RPMI-7951 1
34406768 10.1021/acs.jmedchem.1c01202 MDA-MB-231 1
34406768 10.1021/acs.jmedchem.1c01202 MDA-MB-453 1
34406768 10.1021/acs.jmedchem.1c01202 MDA-MB-468 1
34406768 10.1021/acs.jmedchem.1c01202 A549 1
34406768 10.1021/acs.jmedchem.1c01202 A549/TR 1

Data from ChEMBL 36 via Core Engine